4-oxidanyl-6-[[3-[[2-oxidanylidene-2-[[3-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoyl]phenyl]amino]ethanoyl]amino]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-6-[[3-[[2-oxidanylidene-2-[[3-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoyl]phenyl]amino]ethanoyl]amino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-6-[[3-[[2-[3-[(8-hydroxy-6-sulfo-2-naphthyl)carbamoyl]anilino]-2-oxo-acetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-6-[[[3-[[2-[3-[[(8-hydroxy-6-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-1,2-dioxoethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-6-[[3-[[2-[3-[(8-hydroxy-6-sulfonaphthalen-2-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-6-[[3-[[2-[3-[(8-hydroxy-6-sulfo-2-naphthyl)carbamoyl]anilino]-2-keto-acetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C36H26N4O12S2 MolecularWeight: 770.74124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)O)C(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)O)C(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)O

InChI

InChI=1S/C36H26N4O12S2/c41-31-17-27(53(47,48)49)13-19-7-9-25(15-29(19)31)37-33(43)21-3-1-5-23(11-21)39-35(45)36(46)40-24-6-2-4-22(12-24)34(44)38-26-10-8-20-14-28(54(50,51)52)18-32(42)30(20)16-26/h1-18,41-42H,(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H,47,48,49)(H,50,51,52)