5-benzamido-2-[2-(4-benzamido-2-sulfo-phenyl)ethyl]benzenesulfonic acid

Systemtic Name: 5-benzamido-2-[2-(4-benzamido-2-sulfo-phenyl)ethyl]benzenesulfonic acid Openeye Name: 5-benzamido-2-[2-(4-benzamido-2-sulfo-phenyl)ethyl]benzenesulfonic acid CAS Name: 5-benzamido-2-[2-(4-benzamido-2-sulfophenyl)ethyl]benzenesulfonic acid IUPAC Name: 5-benzamido-2-[2-(4-benzamido-2-sulfophenyl)ethyl]benzenesulfonic acid Traditional Name: 5-benzamido-2-[2-(4-benzamido-2-sulfo-phenyl)ethyl]besylic acid Formula: C28H24N2O8S2 MolecularWeight: 580.62876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)CCC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)CCC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H24N2O8S2/c31-27(21-7-3-1-4-8-21)29-23-15-13-19(25(17-23)39(33,34)35)11-12-20-14-16-24(18-26(20)40(36,37)38)30-28(32)22-9-5-2-6-10-22/h1-10,13-18H,11-12H2,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)