5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-6-(phenylmethoxymethyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-6-(phenylmethoxymethyl)cyclohex-4-ene-1,3-dione Openeye Name: 6-(benzyloxymethyl)-5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dimethylphenyl)thio]-4-ethyl-6-(phenylmethoxymethyl)cyclohex-4-ene-1,3-dione IUPAC Name: 5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-6-(phenylmethoxymethyl)cyclohex-4-ene-1,3-dione Traditional Name: 6-(benzoxymethyl)-5-[(3,5-dimethylphenyl)thio]-4-ethyl-cyclohex-4-ene-1,3-quinone Formula: C24H26O3S MolecularWeight: 394.52644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=O)CC1=O)COCC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(C(C(=O)CC1=O)COCC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C24H26O3S/c1-4-20-22(25)13-23(26)21(15-27-14-18-8-6-5-7-9-18)24(20)28-19-11-16(2)10-17(3)12-19/h5-12,21H,4,13-15H2,1-3H3