[2-ethyl-4-[[4-(hydroxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [2-ethyl-4-[[4-(hydroxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl] ethanoate Openeye Name: [2-ethyl-4-[[4-(hydroxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl] acetate CAS Name: acetic acid [2-ethyl-4-[[4-(hydroxymethyl)-6-sulfinyl-1-cyclohexa-1,3-dienyl]methyl]phenyl] ester IUPAC Name: [2-ethyl-4-[[4-(hydroxymethyl)-6-sulfinylcyclohexa-1,3-dien-1-yl]methyl]phenyl] acetate Traditional Name: acetic acid [2-ethyl-4-[(4-methylol-6-sulfinyl-cyclohexa-1,3-dien-1-yl)methyl]phenyl] ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC2=CC=C(CC2=S=O)CO)OC(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CC2=CC=C(CC2=S=O)CO)OC(=O)C

InChI

InChI=1S/C18H20O4S/c1-3-15-8-13(5-7-17(15)22-12(2)20)9-16-6-4-14(11-19)10-18(16)23-21/h4-8,19H,3,9-11H2,1-2H3