(1-ethyl-2-methyl-7-oxidanylidene-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl heptanoate

Systemtic Name: (1-ethyl-2-methyl-7-oxidanylidene-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl heptanoate Openeye Name: (1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl heptanoate CAS Name: heptanoic acid (1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl ester IUPAC Name: (1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl heptanoate Traditional Name: enanthic acid (1-ethyl-7-keto-2-methyl-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl ester Formula: C25H36O3 MolecularWeight: 384.55154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC1(C=CC2=C3CCC(=O)C=C3CCC2C1CC)C

Isomeric SMILES

CCCCCCC(=O)OCC1(C=CC2=C3CCC(=O)C=C3CCC2C1CC)C

InChI

InChI=1S/C25H36O3/c1-4-6-7-8-9-24(27)28-17-25(3)15-14-21-20-13-11-19(26)16-18(20)10-12-22(21)23(25)5-2/h14-16,22-23H,4-13,17H2,1-3H3