[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C25H38O7 MolecularWeight: 450.56502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)OC2CC(CCC2C(C)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)O[C@H]2C[C@@H](CC[C@@H]2C(C)C)C

InChI

InChI=1S/C25H38O7/c1-7-28-21-13-18(14-22(29-8-2)24(21)30-9-3)25(27)31-15-23(26)32-20-12-17(6)10-11-19(20)16(4)5/h13-14,16-17,19-20H,7-12,15H2,1-6H3/t17-,19-,20+/m1/s1