methyl 5-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)oxypentanoate

Systemtic Name: methyl 5-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)oxypentanoate Openeye Name: methyl 5-(3-thioxocyclohexa-1,5-dien-1-yl)oxypentanoate CAS Name: 5-[(3-sulfanylidene-1-cyclohexa-1,5-dienyl)oxy]pentanoic acid methyl ester IUPAC Name: methyl 5-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)oxypentanoate Traditional Name: 5-(3-thioxocyclohexa-1,5-dien-1-yl)oxyvaleric acid methyl ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=CC(=S)CC=C1

Isomeric SMILES

COC(=O)CCCCOC1=CC(=S)CC=C1

InChI

InChI=1S/C12H16O3S/c1-14-12(13)7-2-3-8-15-10-5-4-6-11(16)9-10/h4-5,9H,2-3,6-8H2,1H3