[2-(3,4-dimethylphenyl)-3-oxidanylidene-4,5,6,6a-tetrahydro-3aH-pentalen-1-yl] octadecanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-3-oxidanylidene-4,5,6,6a-tetrahydro-3aH-pentalen-1-yl] octadecanoate Openeye Name: [2-(3,4-dimethylphenyl)-3-oxo-4,5,6,6a-tetrahydro-3aH-pentalen-1-yl] octadecanoate CAS Name: octadecanoic acid [2-(3,4-dimethylphenyl)-3-oxo-4,5,6,6a-tetrahydro-3aH-pentalen-1-yl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-3-oxo-4,5,6,6a-tetrahydro-3aH-pentalen-1-yl] octadecanoate Traditional Name: stearic acid [2-(3,4-dimethylphenyl)-3-keto-4,5,6,6a-tetrahydro-3aH-pentalen-1-yl] ester Formula: C34H52O3 MolecularWeight: 508.77488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C2C1CCC2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C2C1CCC2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C34H52O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(35)37-34-30-21-19-20-29(30)33(36)32(34)28-24-23-26(2)27(3)25-28/h23-25,29-30H,4-22H2,1-3H3