3-oxidanyl-5-[[4-[[4-[(7-oxidanyl-5-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid

Systemtic Name: 3-oxidanyl-5-[[4-[[4-[(7-oxidanyl-5-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 3-hydroxy-5-[[4-[[4-[(7-hydroxy-5-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 3-hydroxy-5-[[[4-[[[4-[[(7-hydroxy-5-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 3-hydroxy-5-[[4-[[4-[(7-hydroxy-5-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 3-hydroxy-5-[[4-[[4-[(7-hydroxy-5-sulfo-1-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=C(C=C2C(=C1)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC6=C(C=C(C=C65)O)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC6=C(C=C(C=C65)O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

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