chloranyl 2-methyl-2-[2-(4-octoxyphenyl)phenyl]pentanoate

Systemtic Name: chloranyl 2-methyl-2-[2-(4-octoxyphenyl)phenyl]pentanoate Openeye Name: chloro 2-methyl-2-[2-(4-octoxyphenyl)phenyl]pentanoate CAS Name: 2-methyl-2-[2-(4-octoxyphenyl)phenyl]pentanoic acid chloro ester IUPAC Name: chloro 2-methyl-2-[2-(4-octoxyphenyl)phenyl]pentanoate Traditional Name: 2-methyl-2-[2-(4-octoxyphenyl)phenyl]valeric acid chloro ester Formula: C26H35ClO3 MolecularWeight: 431.0073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(C)(CCC)C(=O)OCl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(C)(CCC)C(=O)OCl

InChI

InChI=1S/C26H35ClO3/c1-4-6-7-8-9-12-20-29-22-17-15-21(16-18-22)23-13-10-11-14-24(23)26(3,19-5-2)25(28)30-27/h10-11,13-18H,4-9,12,19-20H2,1-3H3