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

Systemtic Name: 5-oxidanyl-6-[[4-[[4-[(1-oxidanyl-5-sulfo-naphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 5-hydroxy-6-[[4-[[4-[(1-hydroxy-5-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 5-hydroxy-6-[[[4-[[[4-[[(1-hydroxy-5-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-6-[[4-[[4-[(1-hydroxy-5-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 5-hydroxy-6-[[4-[[4-[(1-hydroxy-5-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid Formula: C35H26N4O11S2 MolecularWeight: 742.73114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2O)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2O)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)O)O)C(=C1)S(=O)(=O)O

InChI

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