1-[2,6-bis(chloranyl)phenyl]-2-(3-cyclopentyloxy-4-methoxy-phenyl)heptadecan-3-one

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-2-(3-cyclopentyloxy-4-methoxy-phenyl)heptadecan-3-one Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(2,6-dichlorophenyl)heptadecan-3-one CAS Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-3-heptadecanone IUPAC Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2,6-dichlorophenyl)heptadecan-3-one Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(2,6-dichlorophenyl)heptadecan-3-one Formula: C35H50Cl2O3 MolecularWeight: 589.6757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C(CC1=C(C=CC=C1Cl)Cl)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)C(CC1=C(C=CC=C1Cl)Cl)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C35H50Cl2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-33(38)29(26-30-31(36)20-17-21-32(30)37)27-23-24-34(39-2)35(25-27)40-28-18-15-16-19-28/h17,20-21,23-25,28-29H,3-16,18-19,22,26H2,1-2H3