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

Systemtic Name: 5-oxidanyl-2-[[3-[[3-[(5-oxidanyl-1-sulfo-naphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 5-hydroxy-2-[[3-[[3-[(5-hydroxy-1-sulfo-2-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 5-hydroxy-2-[[[3-[[[3-[[(5-hydroxy-1-sulfo-2-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-2-[[3-[[3-[(5-hydroxy-1-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 5-hydroxy-2-[[3-[[3-[(5-hydroxy-1-sulfo-2-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(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C4=C(C=C3)C(=CC=C4)O)S(=O)(=O)O)C(=O)NC5=C(C6=C(C=C5)C(=CC=C6)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C4=C(C=C3)C(=CC=C4)O)S(=O)(=O)O)C(=O)NC5=C(C6=C(C=C5)C(=CC=C6)O)S(=O)(=O)O

InChI

InChI=1S/C35H26N4O11S2/c40-29-11-3-9-25-23(29)13-15-27(31(25)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)39-28-16-14-24-26(10-4-12-30(24)41)32(28)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)