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

Systemtic Name: 7-oxidanyl-6-[[3-[[3-[(3-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 7-hydroxy-6-[[3-[[3-[(3-hydroxy-6-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 7-hydroxy-6-[[[3-[[[3-[[(3-hydroxy-6-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-6-[[3-[[3-[(3-hydroxy-6-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 7-hydroxy-6-[[3-[[3-[(3-hydroxy-6-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C35H26N4O11S2 MolecularWeight: 742.73114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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