3-[(Z)-C-[3-(2-carboxyethyl)-4-decoxy-phenyl]-N-oxidanyl-carbonimidoyl]benzoic acid

Systemtic Name: 3-[(Z)-C-[3-(2-carboxyethyl)-4-decoxy-phenyl]-N-oxidanyl-carbonimidoyl]benzoic acid Openeye Name: 3-[(Z)-C-[3-(2-carboxyethyl)-4-decoxy-phenyl]-N-hydroxy-carbonimidoyl]benzoic acid CAS Name: 3-[(Z)-[3-(2-carboxyethyl)-4-decoxyphenyl]-hydroxyiminomethyl]benzoic acid IUPAC Name: 3-[(Z)-C-[3-(2-carboxyethyl)-4-decoxyphenyl]-N-hydroxycarbonimidoyl]benzoic acid Traditional Name: 3-[(Z)-[3-(2-carboxyethyl)-4-decoxy-phenyl]carbohydroximoyl]benzoic acid Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=NO)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)/C(=N/O)/C2=CC(=CC=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C27H35NO6/c1-2-3-4-5-6-7-8-9-17-34-24-15-13-22(18-20(24)14-16-25(29)30)26(28-33)21-11-10-12-23(19-21)27(31)32/h10-13,15,18-19,33H,2-9,14,16-17H2,1H3,(H,29,30)(H,31,32)/b28-26+