6-oxidanyl-4-[[4-[[4-[(7-oxidanyl-3-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 6-oxidanyl-4-[[4-[[4-[(7-oxidanyl-3-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 6-hydroxy-4-[[4-[[4-[(7-hydroxy-3-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 6-hydroxy-4-[[[4-[[[4-[[(7-hydroxy-3-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 6-hydroxy-4-[[4-[[4-[(7-hydroxy-3-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 6-hydroxy-4-[[4-[[4-[(7-hydroxy-3-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=CC(=CC=C1C(=O)NC2=C3C=C(C=CC3=CC(=C2)S(=O)(=O)O)O)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C6C=C(C=CC6=CC(=C5)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C=C(C=CC3=CC(=C2)S(=O)(=O)O)O)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C6C=C(C=CC6=CC(=C5)S(=O)(=O)O)O

InChI

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