methyl 7-[(1R,2R)-3-oxidanylidene-1-[(E)-3-oxidanyloct-1-enyl]-1,2-dihydroinden-2-yl]heptanoate

Systemtic Name: methyl 7-[(1R,2R)-3-oxidanylidene-1-[(E)-3-oxidanyloct-1-enyl]-1,2-dihydroinden-2-yl]heptanoate Openeye Name: methyl 7-[(1R,2R)-1-[(E)-3-hydroxyoct-1-enyl]-3-oxo-indan-2-yl]heptanoate CAS Name: 7-[(1R,2R)-1-[(E)-3-hydroxyoct-1-enyl]-3-oxo-1,2-dihydroinden-2-yl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1R,2R)-1-[(E)-3-hydroxyoct-1-enyl]-3-oxo-1,2-dihydroinden-2-yl]heptanoate Traditional Name: 7-[(1R,2R)-1-[(E)-3-hydroxyoct-1-enyl]-3-keto-indan-2-yl]enanthic acid methyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(C(=O)C2=CC=CC=C12)CCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/[C@@H]1[C@H](C(=O)C2=CC=CC=C12)CCCCCCC(=O)OC)O

InChI

InChI=1S/C25H36O4/c1-3-4-7-12-19(26)17-18-21-20-13-10-11-15-22(20)25(28)23(21)14-8-5-6-9-16-24(27)29-2/h10-11,13,15,17-19,21,23,26H,3-9,12,14,16H2,1-2H3/b18-17+/t19?,21-,23+/m0/s1