(3-chloranyl-6-propanoyl-1-propoxy-cyclohexa-2,4-dien-1-yl)methyl methanesulfonate

Systemtic Name: (3-chloranyl-6-propanoyl-1-propoxy-cyclohexa-2,4-dien-1-yl)methyl methanesulfonate Openeye Name: (3-chloro-6-propanoyl-1-propoxy-cyclohexa-2,4-dien-1-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [3-chloro-6-(1-oxopropyl)-1-propoxy-1-cyclohexa-2,4-dienyl]methyl ester IUPAC Name: (3-chloro-6-propanoyl-1-propoxycyclohexa-2,4-dien-1-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (3-chloro-6-propionyl-1-propoxy-cyclohexa-2,4-dien-1-yl)methyl ester Formula: C14H21ClO5S MolecularWeight: 336.83154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C=C(C=CC1C(=O)CC)Cl)COS(=O)(=O)C

Isomeric SMILES

CCCOC1(C=C(C=CC1C(=O)CC)Cl)COS(=O)(=O)C

InChI

InChI=1S/C14H21ClO5S/c1-4-8-19-14(10-20-21(3,17)18)9-11(15)6-7-12(14)13(16)5-2/h6-7,9,12H,4-5,8,10H2,1-3H3