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

Systemtic Name: 2-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]-6-oxidanyl-benzoic acid Openeye Name: 2-[[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]-6-hydroxy-benzoic acid CAS Name: 2-[[3,5-bis[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]-6-hydroxybenzoic acid IUPAC Name: 2-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]-6-hydroxybenzoic acid Traditional Name: 2-[[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]-6-hydroxy-benzoic acid Formula: C36H25N3O12S2 MolecularWeight: 755.7266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=C(C(=CC=C4)O)C(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=C(C(=CC=C4)O)C(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C36H25N3O12S2/c40-31-9-3-6-28(32(31)36(44)45)35(43)37-23-15-21(33(41)38-29-7-1-4-19-17-24(52(46,47)48)10-12-26(19)29)14-22(16-23)34(42)39-30-8-2-5-20-18-25(53(49,50)51)11-13-27(20)30/h1-18,40H,(H,37,43)(H,38,41)(H,39,42)(H,44,45)(H,46,47,48)(H,49,50,51)