3-ethyl-2-[6-[2-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid

Systemtic Name: 3-ethyl-2-[6-[2-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid Openeye Name: 3-ethyl-2-[6-[2-(3-thioxocyclohexa-1,5-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid CAS Name: 3-ethyl-2-[6-[2-(3-sulfanylidene-1-cyclohexa-1,5-dienyl)ethoxy]hexyl]-2-oxiranecarboxylic acid IUPAC Name: 3-ethyl-2-[6-[2-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid Traditional Name: 3-ethyl-2-[6-[2-(3-thioxocyclohexa-1,5-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(O1)(CCCCCCOCCC2=CC(=S)CC=C2)C(=O)O

Isomeric SMILES

CCC1C(O1)(CCCCCCOCCC2=CC(=S)CC=C2)C(=O)O

InChI

InChI=1S/C19H28O4S/c1-2-17-19(23-17,18(20)21)11-5-3-4-6-12-22-13-10-15-8-7-9-16(24)14-15/h7-8,14,17H,2-6,9-13H2,1H3,(H,20,21)