5-(3-tert-butylphenyl)sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 5-(3-tert-butylphenyl)sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3-tert-butylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3-tert-butylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3-tert-butylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3-tert-butylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC(=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC(=C2)C(C)(C)C

InChI

InChI=1S/C20H26O4S/c1-13-17(22)11-18(23)16(12-24-9-8-21)19(13)25-15-7-5-6-14(10-15)20(2,3)4/h5-7,10,16,21H,8-9,11-12H2,1-4H3