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

Systemtic Name: 3-ethyl-2-[6-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid Openeye Name: 3-ethyl-2-[6-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid CAS Name: 3-ethyl-2-[6-[2-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)ethoxy]hexyl]-2-oxiranecarboxylic acid IUPAC Name: 3-ethyl-2-[6-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethoxy]hexyl]oxirane-2-carboxylic acid Traditional Name: 3-ethyl-2-[6-[2-(6-thioxocyclohexa-1,3-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=CCC2=S)C(=O)O

Isomeric SMILES

CCC1C(O1)(CCCCCCOCCC2=CC=CCC2=S)C(=O)O

InChI

InChI=1S/C19H28O4S/c1-2-17-19(23-17,18(20)21)12-7-3-4-8-13-22-14-11-15-9-5-6-10-16(15)24/h5-6,9,17H,2-4,7-8,10-14H2,1H3,(H,20,21)