4-oxidanylidene-4-[[4-[4-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]phenyl]sulfonylphenyl]amino]-2-sulfo-butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-[4-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]phenyl]sulfonylphenyl]amino]-2-sulfo-butanoic acid Openeye Name: 4-[4-[4-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]phenyl]sulfonylanilino]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[4-[4-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]phenyl]sulfonylanilino]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[4-[4-[(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]phenyl]sulfonylanilino]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[4-[4-[(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]phenyl]sulfonylanilino]-4-keto-2-sulfo-butyric acid Formula: C20H20N2O14S3 MolecularWeight: 608.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)O)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CC(C(=O)O)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O14S3/c23-17(9-15(19(25)26)38(31,32)33)21-11-1-5-13(6-2-11)37(29,30)14-7-3-12(4-8-14)22-18(24)10-16(20(27)28)39(34,35)36/h1-8,15-16H,9-10H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)(H,31,32,33)(H,34,35,36)