Compound C37H29N3O9S3

4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid

CAS: 61489-48-3

Molecular Formula	`C37H29N3O9S3`
Molecular Weight	755.8 g/mol
LogP	5.7
Topological Polar Surface Area	225.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	755.10657
Heavy Atoms	52
Complexity	1570.0

Chemical Identifiers

CAS Number	61489-48-3
SMILES	`C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)O`
InChIKey	`RFKJHQXSLBUONF-UHFFFAOYSA-N`

📖 Product Overview

Compound C37H29N3O9S3 (CAS: 61489-48-3) is a chemical compound with molecular formula C37H29N3O9S3 and molecular weight 755.8 g/mol. Its IUPAC systematic name is 4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid. LogP 5.7 Topological Polar Surface Area 225.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 12 Rotatable Bonds 10 Exact Mass 755.10657 Heavy Atoms 52 Complexity 1570.0 InChI Key: RFKJHQXSLBUONF-UHFFFAOYSA-N. SMILES: C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)O.

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