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Reference substances

Reference substances

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General information

Inventory

EC number:
201-325-2
EC name:
4,4'-diaminostilbene-2,2'-disulphonic acid
CAS number:
81-11-8

No inventory information available

Reference substance information

IUPAC name:
5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid
Synonyms
Names:
2,2'-Stilbenedisulfonic acid, 4,4'-diamino-
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-
Identifier:
CAS number
81-11-8
Identifier:
IUPAC name
5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid
Identifier:
other: InChl
InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+
Identifier:
other: InChl
InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+ AuxInfo=1/1/N:1,2,14,5,13,6,11,8,4,3,12,7,10,9,23,24,16,17,18,20,21,22,15,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20,21,22)(23,24)/gE:(1,2)/CRV:23.6,24.6/rA:24CCCCCCCCCCCCCCSOOOSOOONN/rB:d+1;s2;s1;d+3;s5;d-6;s7;s3d-8;d+4;s10;d-11;s12;s4d-13;s10;d15;s15;d15;s9;d19;s19;d19;s12;s7;/rC:5.3337,-4.4409,0;6.6981,-3.6446,0;8.0371,-4.4409,0;3.9944,-3.6568,0;8.0371,-5.9621,0;9.3521,-6.7222,0;10.7165,-5.9621,0;10.7165,-4.3927,0;9.3764,-3.6808,0;3.9944,-2.1004,0;2.6794,-1.3392,0;1.3633,-2.1004,0;1.3633,-3.6687,0;2.6794,-4.4287,0;5.394,-1.3271,0;6.2156,-2.8,0;6.686,-.5671,0;4.5855,0,0;9.3644,-2.1004,0;11.0906,-2.1004,0;9.3644,-.6033,0;7.8682,-2.1004,0;0,-1.3271,0;12.0558,-6.7222,0;
Identifier:
other: SMILES notation
NC1=CC(=C(\C=C\C2=CC=C(N)C=C2S(O)(=O)=O)C=C1)S(O)(=O)=O
Identifier:
other: SMILES notation
S(=O)(=O)(O)c1cc(N)ccc1C=Cc2ccc(N)cc2S(=O)(=O)O
2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid)

CAS information

CAS number:
81-11-8

Molecular and structural information

Molecular formula:
C14H14N2O6S2
Molecular weight:
370.401
SMILES notation:
Nc1ccc(\C=C\c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O
InChl:
InChI=1/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)
Structural formula:
Chemical structure