(E)-12-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]dodec-11-enoic acid

Systemtic Name: (E)-12-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]dodec-11-enoic acid Openeye Name: (E)-12-[3-(4-chlorobenzoyl)-2-methyl-phenyl]dodec-11-enoic acid CAS Name: (E)-12-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]-11-dodecenoic acid IUPAC Name: (E)-12-[3-(4-chlorobenzoyl)-2-methylphenyl]dodec-11-enoic acid Traditional Name: (E)-12-[3-(4-chlorobenzoyl)-2-methyl-phenyl]dodec-11-enoic acid Formula: C26H31ClO3 MolecularWeight: 426.97554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)C2=CC=C(C=C2)Cl)C=CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1C(=O)C2=CC=C(C=C2)Cl)/C=C/CCCCCCCCCC(=O)O

InChI

InChI=1S/C26H31ClO3/c1-20-21(12-9-7-5-3-2-4-6-8-10-15-25(28)29)13-11-14-24(20)26(30)22-16-18-23(27)19-17-22/h9,11-14,16-19H,2-8,10,15H2,1H3,(H,28,29)/b12-9+