(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)methanesulfinic acid

Systemtic Name: (2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)methanesulfinic acid Openeye Name: (2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)methanesulfinic acid CAS Name: (2,6,6-trimethyl-3-oxo-1-cyclohexenyl)methanesulfinic acid IUPAC Name: (2,6,6-trimethyl-3-oxocyclohexen-1-yl)methanesulfinic acid Traditional Name: (3-keto-2,6,6-trimethyl-cyclohexen-1-yl)methanesulfinic acid Formula: C10H16O3S MolecularWeight: 216.29724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)CS(=O)O

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)CS(=O)O

InChI

InChI=1S/C10H16O3S/c1-7-8(6-14(12)13)10(2,3)5-4-9(7)11/h4-6H2,1-3H3,(H,12,13)