4-oxidanyl-5-[[3-[[3-[(8-oxidanyl-6-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-5-[[3-[[3-[(8-oxidanyl-6-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-5-[[3-[[3-[(8-hydroxy-6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-5-[[[3-[[[3-[[(8-hydroxy-6-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-5-[[3-[[3-[(8-hydroxy-6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-5-[[3-[[3-[(8-hydroxy-6-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=CC(=CC(=C2C(=C1)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC6=CC(=CC(=C65)O)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC6=CC(=CC(=C65)O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

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