2-[[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-(1-carboxyheptyl)phenyl]methyl]benzoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxooctan-2-yl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxooctan-2-yl)phenyl]methyl]benzoic acid Traditional Name: 2-[4-(1-carboxyheptyl)benzyl]benzoic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C22H26O4/c1-2-3-4-5-9-19(21(23)24)17-13-11-16(12-14-17)15-18-8-6-7-10-20(18)22(25)26/h6-8,10-14,19H,2-5,9,15H2,1H3,(H,23,24)(H,25,26)