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Reference substances

Reference substances

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General information

Inventory

EC number:
258-946-7
EC name:
2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
CAS number:
54060-92-3

No inventory information available

Reference substance information

IUPAC name:
2-{[2-(4-methoxyphenyl)-2-methylhydrazin-1-ylidene]methyl}-1,3,3-trimethyl-3H-indol-1-ium methyl sulfate

CAS information

CAS number:
54060-92-3

Molecular and structural information

Molecular formula:
C20H24N3O.CH3O4S
C21H27N3O5S
Molecular weight:
433.52
SMILES notation:
C2=CC=C1[N+](=C(C(C1=C2)(C)C)C=NN(C3=CC=C(C=C3)OC)C)C.[S]([O-])(OC)(=O)=O
c12c(C(C)(C)C(\C=N\N(c3ccc(OC)cc3)C)=[N+]1C)cccc2.S(OC)(=O)(=O)[O-]
Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.COS(=O)(=O)[O-]
Isomeric SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=C(C=C3)OC)C)C.COS(=O)(=O)[O-]
InChl:
InChI=1S/C20H24N3O.CH4O4S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey: SPWPAFQLIZTXFN-UHFFFAOYSA-M
Structural formula:
Chemical structure