[2-methyl-5-(6-methylhept-5-en-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] methanesulfonate

Systemtic Name: [2-methyl-5-(6-methylhept-5-en-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] methanesulfonate Openeye Name: [5-(1,5-dimethylhex-4-enyl)-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl] methanesulfonate CAS Name: methanesulfonic acid [2-methyl-5-(6-methylhept-5-en-2-yl)-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [2-methyl-5-(6-methylhept-5-en-2-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-(1,5-dimethylhex-4-enyl)-3,6-diketo-2-methyl-cyclohexa-1,4-dien-1-yl] ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=O)C(C)CCC=C(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)C(=CC1=O)C(C)CCC=C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C16H22O5S/c1-10(2)7-6-8-11(3)13-9-14(17)12(4)16(15(13)18)21-22(5,19)20/h7,9,11H,6,8H2,1-5H3