methyl 2-sulfanyl-3-(3,4,5-tritert-butyl-5-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoate

Systemtic Name: methyl 2-sulfanyl-3-(3,4,5-tritert-butyl-5-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoate Openeye Name: methyl 2-sulfanyl-3-(3,4,5-tritert-butyl-5-hydroxy-cyclohexa-1,3-dien-1-yl)propanoate CAS Name: 2-mercapto-3-(3,4,5-tritert-butyl-5-hydroxy-1-cyclohexa-1,3-dienyl)propanoic acid methyl ester IUPAC Name: methyl 2-sulfanyl-3-(3,4,5-tritert-butyl-5-hydroxycyclohexa-1,3-dien-1-yl)propanoate Traditional Name: 2-mercapto-3-(3,4,5-tritert-butyl-5-hydroxy-cyclohexa-1,3-dien-1-yl)propionic acid methyl ester Formula: C22H38O3S MolecularWeight: 382.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(CC(=C1)CC(C(=O)OC)S)(C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C(CC(=C1)CC(C(=O)OC)S)(C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H38O3S/c1-19(2,3)15-11-14(12-16(26)18(23)25-10)13-22(24,21(7,8)9)17(15)20(4,5)6/h11,16,24,26H,12-13H2,1-10H3