[3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoate

Systemtic Name: [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoate Openeye Name: [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoate CAS Name: (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester IUPAC Name: [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoate Traditional Name: (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoic acid [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] ester Formula: C44H60O4 MolecularWeight: 652.9448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCC1=C(C=C(C=C1OC)CCCC(C)C)OC(=O)C=CC=CC=CC=CC=CC=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCCCCCCCC1=C(C=C(C=C1OC)CCCC(C)C)OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C44H60O4/c1-36(2)24-19-15-13-14-17-21-28-41-42(47-6)34-39(27-23-25-37(3)4)35-43(41)48-44(45)29-22-18-12-10-8-7-9-11-16-20-26-38-30-32-40(46-5)33-31-38/h7-12,16,18,20,22,26,29-37H,13-15,17,19,21,23-25,27-28H2,1-6H3/b9-7+,10-8+,16-11+,18-12+,26-20+,29-22+