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

Systemtic Name: 3-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid Openeye Name: 3-[[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoic acid CAS Name: 3-[[3,5-bis[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 3-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid Traditional Name: 3-[[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(=CC(=C1)C(=O)O)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

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)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

InChI

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