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

Systemtic Name: 4-oxidanyl-3-[[4-[[4-[(1-oxidanyl-3-sulfo-naphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-3-[[4-[[4-[(1-hydroxy-3-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-3-[[[4-[[[4-[[(1-hydroxy-3-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-[[4-[[4-[(1-hydroxy-3-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-3-[[4-[[4-[(1-hydroxy-3-sulfo-2-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=C2C(=C1)C=C(C(=C2O)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C6=CC=CC=C6C=C5S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2O)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C6=CC=CC=C6C=C5S(=O)(=O)O)O)S(=O)(=O)O

InChI

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