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

Systemtic Name: methyl (E)-7-[1-acetyloxy-3-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-acetoxy-3-[(E)-3-hydroxy-3-methyl-oct-1-enyl]indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-acetyloxy-3-[(E)-3-hydroxy-3-methyloct-1-enyl]-2,3-dihydro-1H-inden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-acetyloxy-3-[(E)-3-hydroxy-3-methyloct-1-enyl]-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-acetoxy-3-[(E)-3-hydroxy-3-methyl-oct-1-enyl]indan-2-yl]hept-5-enoic acid methyl ester Formula: C28H40O5 MolecularWeight: 456.6142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O5/c1-5-6-13-19-28(3,31)20-18-23-22-14-11-12-16-24(22)27(33-21(2)29)25(23)15-9-7-8-10-17-26(30)32-4/h7,9,11-12,14,16,18,20,23,25,27,31H,5-6,8,10,13,15,17,19H2,1-4H3/b9-7+,20-18+