2-[4-[[4-(acetyloxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(acetyloxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(acetoxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[4-(acetyloxymethyl)-6-sulfinyl-1-cyclohexa-1,3-dienyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(acetyloxymethyl)-6-sulfinylcyclohexa-1,3-dien-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[4-(acetoxymethyl)-6-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl]phenyl]acetic acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(C(=S=O)C1)CC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC(=O)OCC1=CC=C(C(=S=O)C1)CC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C18H18O5S/c1-12(19)23-11-15-6-7-16(17(9-15)24-22)8-13-2-4-14(5-3-13)10-18(20)21/h2-7H,8-11H2,1H3,(H,20,21)