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

Systemtic Name: 1-oxidanyl-5-[[3-[[3-[(5-oxidanyl-6-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 1-hydroxy-5-[[3-[[3-[(5-hydroxy-6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 1-hydroxy-5-[[[3-[[[3-[[(5-hydroxy-6-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 1-hydroxy-5-[[3-[[3-[(5-hydroxy-6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 1-hydroxy-5-[[3-[[3-[(5-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=CC=CC4=C3C=CC(=C4O)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4O)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6O)S(=O)(=O)O

InChI

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