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

Systemtic Name: 7-oxidanyl-3-[[3-[[3-[(6-oxidanyl-4-sulfo-naphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 7-hydroxy-3-[[3-[[3-[(6-hydroxy-4-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 7-hydroxy-3-[[[3-[[[3-[[(6-hydroxy-4-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-3-[[3-[[3-[(6-hydroxy-4-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 7-hydroxy-3-[[3-[[3-[(6-hydroxy-4-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=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C4C=C(C=CC4=C3)O)S(=O)(=O)O)C(=O)NC5=CC(=C6C=C(C=CC6=C5)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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