methyl (E)-7-[1-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-oxidanylidene-1,2-dihydroinden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[1-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-oxidanylidene-1,2-dihydroinden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-3-oxo-indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-oxo-1,2-dihydroinden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-oxo-1,2-dihydroinden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-3-keto-indan-2-yl]hept-5-enoic acid methyl ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C(C(=O)C2=CC=CC=C12)CC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1C(C(=O)C2=CC=CC=C12)C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C27H38O4/c1-5-6-19-27(2,3)24(28)18-17-21-20-13-11-12-15-22(20)26(30)23(21)14-9-7-8-10-16-25(29)31-4/h7,9,11-13,15,17-18,21,23-24,28H,5-6,8,10,14,16,19H2,1-4H3/b9-7+,18-17+