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

Systemtic Name: 3-oxidanyl-6-[[4-[[4-[(7-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 3-hydroxy-6-[[4-[[4-[(7-hydroxy-6-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 3-hydroxy-6-[[[4-[[[4-[[(7-hydroxy-6-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 3-hydroxy-6-[[4-[[4-[(7-hydroxy-6-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 3-hydroxy-6-[[4-[[4-[(7-hydroxy-6-sulfo-2-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=C1C(=O)NC2=CC3=CC(=C(C=C3C=C2)S(=O)(=O)O)O)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=CC(=C(C=C6C=C5)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=CC(=C(C=C3C=C2)S(=O)(=O)O)O)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=CC(=C(C=C6C=C5)S(=O)(=O)O)O

InChI

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