methyl (E)-7-[1-(3-methyl-3-oxidanyl-octyl)-3-oxidanyl-2,3-dihydro-1H-inden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[1-(3-methyl-3-oxidanyl-octyl)-3-oxidanyl-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-hydroxy-3-(3-hydroxy-3-methyl-octyl)indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-hydroxy-3-(3-hydroxy-3-methyloctyl)-2,3-dihydro-1H-inden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-hydroxy-3-(3-hydroxy-3-methyloctyl)-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-hydroxy-3-(3-hydroxy-3-methyl-octyl)indan-2-yl]hept-5-enoic acid methyl ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(C)(CCC1C(C(C2=CC=CC=C12)O)C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C26H40O4/c1-4-5-12-18-26(2,29)19-17-21-20-13-10-11-15-22(20)25(28)23(21)14-8-6-7-9-16-24(27)30-3/h6,8,10-11,13,15,21,23,25,28-29H,4-5,7,9,12,14,16-19H2,1-3H3/b8-6+