methyl 7-[1-oxidanyl-3-(3-oxidanyloctyl)-2,3-dihydro-1H-inden-2-yl]heptanoate

Systemtic Name: methyl 7-[1-oxidanyl-3-(3-oxidanyloctyl)-2,3-dihydro-1H-inden-2-yl]heptanoate Openeye Name: methyl 7-[1-hydroxy-3-(3-hydroxyoctyl)indan-2-yl]heptanoate CAS Name: 7-[1-hydroxy-3-(3-hydroxyoctyl)-2,3-dihydro-1H-inden-2-yl]heptanoic acid methyl ester IUPAC Name: methyl 7-[1-hydroxy-3-(3-hydroxyoctyl)-2,3-dihydro-1H-inden-2-yl]heptanoate Traditional Name: 7-[1-hydroxy-3-(3-hydroxyoctyl)indan-2-yl]enanthic acid methyl ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/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/h10-11,13,15,19,21,23,25-26,28H,3-9,12,14,16-18H2,1-2H3