2-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3,5-bis[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoic acid Formula: C36H25N3O11S2 MolecularWeight: 739.7272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C36H25N3O11S2/c40-33(38-31-9-3-5-20-18-25(51(45,46)47)11-13-27(20)31)22-15-23(17-24(16-22)37-35(42)29-7-1-2-8-30(29)36(43)44)34(41)39-32-10-4-6-21-19-26(52(48,49)50)12-14-28(21)32/h1-19H,(H,37,42)(H,38,40)(H,39,41)(H,43,44)(H,45,46,47)(H,48,49,50)