Registration Dossier

General information

Inventory

EC number:
403-830-5
EC name:
6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3H),9-(9H)-xanthen]-3-one
CAS number:
-
Description:
B 290; BK 400; CK 34; DIBUTYL-N-102; DX-20; FAT NR. 40391/A; FLUORAN BLACK BD 869; FLUORAN SCHWARZ BD 869; NOIR FLUORANE BD 869; ODB-2; PSD-290; SENOR-2; TG-31; TH-108; WINCON-2

No inventory information available

Reference substance information

IUPAC name:
6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Synonyms
Names:
Identifier:
CAS number
89331-94-2
Identifier:
IUPAC name
2'-(anilino)-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Identifier:
IUPAC name
6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3H),9-(9H)-xanthen]-3-one
Identifier:
other: Molecular formula
C35 H36 N2 O3
Identifier:
other: SMILES notation
CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)C)NC6=CC=CC=C6
Identifier:
other: SMILES notation
CCCCN(CCCC)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C22OC(=O)c3ccccc32)c1
Identifier:
other: InChl
InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3
6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one

CAS information

CAS number:
89331-94-2

Molecular and structural information

Molecular formula:
C35H36N2O3
Molecular weight:
ca. 532.672
SMILES notation:

CCCCN(CCCC)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C22OC(=O)c3ccccc32)c1
InChl:

InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-1
3-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H
2,1-3H3
Structural formula:
Chemical structure