2-[4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(1-carboxypropyl)benzoyl]benzoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxobutan-2-yl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxobutan-2-yl)benzoyl]benzoic acid Traditional Name: 2-[4-(1-carboxypropyl)benzoyl]benzoic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C18H16O5/c1-2-13(17(20)21)11-7-9-12(10-8-11)16(19)14-5-3-4-6-15(14)18(22)23/h3-10,13H,2H2,1H3,(H,20,21)(H,22,23)