4-(2-methyl-1-oxidanyl-1-oxidanylidene-octadecan-2-yl)benzoic acid

Systemtic Name: 4-(2-methyl-1-oxidanyl-1-oxidanylidene-octadecan-2-yl)benzoic acid Openeye Name: 4-(1-carboxy-1-methyl-heptadecyl)benzoic acid CAS Name: 4-(1-hydroxy-2-methyl-1-oxooctadecan-2-yl)benzoic acid IUPAC Name: 4-(1-hydroxy-2-methyl-1-oxooctadecan-2-yl)benzoic acid Traditional Name: 4-(1-carboxy-1-methyl-heptadecyl)benzoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(2,25(29)30)23-19-17-22(18-20-23)24(27)28/h17-20H,3-16,21H2,1-2H3,(H,27,28)(H,29,30)