1-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]cycloheptadecane-1-carboxylic acid

Systemtic Name: 1-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]cycloheptadecane-1-carboxylic acid Openeye Name: 1-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]cycloheptadecanecarboxylic acid CAS Name: 1-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-1-cycloheptadecanecarboxylic acid IUPAC Name: 1-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]cycloheptadecane-1-carboxylic acid Traditional Name: 1-[(E)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]cycloheptadecanecarboxylic acid Formula: C22H38O4 MolecularWeight: 366.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1(CCCCCCCCCCCCCCCC1)C(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C1(CCCCCCCCCCCCCCCC1)C(=O)O)/C(=O)O

InChI

InChI=1S/C22H38O4/c1-19(20(23)24)18-22(21(25)26)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22/h18H,2-17H2,1H3,(H,23,24)(H,25,26)/b19-18+