phenethyl 4-methyl-3-oxidanylidene-pent-4-ene-1-sulfonate

Systemtic Name: phenethyl 4-methyl-3-oxidanylidene-pent-4-ene-1-sulfonate Openeye Name: phenethyl 4-methyl-3-oxo-pent-4-ene-1-sulfonate CAS Name: 4-methyl-3-oxo-4-pentene-1-sulfonic acid phenethyl ester IUPAC Name: phenethyl 4-methyl-3-oxopent-4-ene-1-sulfonate Traditional Name: 3-keto-4-methyl-pent-4-ene-1-sulfonic acid phenethyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)CCS(=O)(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CC(=C)C(=O)CCS(=O)(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C14H18O4S/c1-12(2)14(15)9-11-19(16,17)18-10-8-13-6-4-3-5-7-13/h3-7H,1,8-11H2,2H3