methyl (E)-7-[3-oxidanylidene-1-(3-oxidanyloctyl)-1,2-dihydroinden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-oxidanylidene-1-(3-oxidanyloctyl)-1,2-dihydroinden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-(3-hydroxyoctyl)-3-oxo-indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-(3-hydroxyoctyl)-3-oxo-1,2-dihydroinden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-(3-hydroxyoctyl)-3-oxo-1,2-dihydroinden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-(3-hydroxyoctyl)-3-keto-indan-2-yl]hept-5-enoic acid methyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(C(=O)C2=CC=CC=C12)CC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(CCC1C(C(=O)C2=CC=CC=C12)C/C=C/CCCC(=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/h5,8,10-11,13,15,19,21,23,26H,3-4,6-7,9,12,14,16-18H2,1-2H3/b8-5+