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

Systemtic Name: 3-oxidanyl-4-[[4-[[4-[(2-oxidanyl-4-sulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 3-hydroxy-4-[[4-[[4-[(2-hydroxy-4-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 3-hydroxy-4-[[[4-[[[4-[[(2-hydroxy-4-sulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 3-hydroxy-4-[[4-[[4-[(2-hydroxy-4-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 3-hydroxy-4-[[4-[[4-[(2-hydroxy-4-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=CC=C2C(=C1)C(=CC(=C2NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C6=CC=CC=C65)S(=O)(=O)O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C6=CC=CC=C65)S(=O)(=O)O)O)O)S(=O)(=O)O

InChI

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