prop-2-enyl (2R)-2-methyl-4-oxidanylidene-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3H-chromene-3-carboxylate

Systemtic Name: prop-2-enyl (2R)-2-methyl-4-oxidanylidene-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3H-chromene-3-carboxylate Openeye Name: allyl (2R)-2-methyl-4-oxo-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]chromane-3-carboxylate CAS Name: (2R)-2-methyl-4-oxo-2-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-2-methyl-4-oxo-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3H-chromene-3-carboxylate Traditional Name: (2R)-4-keto-2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]chroman-3-carboxylic acid allyl ester Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC2(C(C(=O)C3=CC=CC=C3O2)C(=O)OCC=C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC[C@@]2(C(C(=O)C3=CC=CC=C3O2)C(=O)OCC=C)C

InChI

InChI=1S/C25H32O4/c1-6-16-28-23(27)21-22(26)18-11-7-8-12-20(18)29-25(21,5)15-13-19-17(2)10-9-14-24(19,3)4/h6-8,11-12,21H,1,9-10,13-16H2,2-5H3/t21?,25-/m1/s1