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

Systemtic Name: 7-oxidanyl-5-[[3-[[3-[(3-oxidanyl-6-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 7-hydroxy-5-[[3-[[3-[(3-hydroxy-6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 7-hydroxy-5-[[[3-[[[3-[[(3-hydroxy-6-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-5-[[3-[[3-[(3-hydroxy-6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 7-hydroxy-5-[[3-[[3-[(3-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=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C=CC(=CC4=CC(=C3)O)S(=O)(=O)O)C(=O)NC5=C6C=CC(=CC6=CC(=C5)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C=CC(=CC4=CC(=C3)O)S(=O)(=O)O)C(=O)NC5=C6C=CC(=CC6=CC(=C5)O)S(=O)(=O)O

InChI

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