(7S)-1,4-dimethyl-5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid

Systemtic Name: (7S)-1,4-dimethyl-5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid Openeye Name: (7S)-1,4-dimethyl-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid CAS Name: (7S)-1,4-dimethyl-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid IUPAC Name: (7S)-1,4-dimethyl-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid Traditional Name: (7S)-5-keto-1,4-dimethyl-6,7,8,9-tetrahydrobenzocycloheptene-7-carboxylic acid Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(CC(=O)C2=C(C=C1)C)C(=O)O

Isomeric SMILES

CC1=C2CC[C@@H](CC(=O)C2=C(C=C1)C)C(=O)O

InChI

InChI=1S/C14H16O3/c1-8-3-4-9(2)13-11(8)6-5-10(14(16)17)7-12(13)15/h3-4,10H,5-7H2,1-2H3,(H,16,17)/t10-/m0/s1