8-oxidanyl-1-[[3-[[3-[(8-oxidanyl-2-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 8-oxidanyl-1-[[3-[[3-[(8-oxidanyl-2-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 8-hydroxy-1-[[3-[[3-[(8-hydroxy-2-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 8-hydroxy-1-[[[3-[[[3-[[(8-hydroxy-2-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-1-[[3-[[3-[(8-hydroxy-2-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 8-hydroxy-1-[[3-[[3-[(8-hydroxy-2-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C35H26N4O11S2 MolecularWeight: 742.73114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=C(C=C2)S(=O)(=O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC6=C5C(=CC=C6)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=C(C=C2)S(=O)(=O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC6=C5C(=CC=C6)O)S(=O)(=O)O

InChI

InChI=1S/C35H26N4O11S2/c40-25-11-3-5-19-13-15-27(51(45,46)47)31(29(19)25)38-33(42)21-7-1-9-23(17-21)36-35(44)37-24-10-2-8-22(18-24)34(43)39-32-28(52(48,49)50)16-14-20-6-4-12-26(41)30(20)32/h1-18,40-41H,(H,38,42)(H,39,43)(H2,36,37,44)(H,45,46,47)(H,48,49,50)