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

Systemtic Name: 5-(3-ethylphenyl)sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3-ethylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3-ethylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3-ethylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3-ethylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)SC2=C(C(=O)CC(=O)C2COCCO)C

Isomeric SMILES

CCC1=CC(=CC=C1)SC2=C(C(=O)CC(=O)C2COCCO)C

InChI

InChI=1S/C18H22O4S/c1-3-13-5-4-6-14(9-13)23-18-12(2)16(20)10-17(21)15(18)11-22-8-7-19/h4-6,9,15,19H,3,7-8,10-11H2,1-2H3