1-[2-chloranyl-4-(4-dodecanoylphenyl)phenoxy]propan-2-yl butanoate

Systemtic Name: 1-[2-chloranyl-4-(4-dodecanoylphenyl)phenoxy]propan-2-yl butanoate Openeye Name: [2-[2-chloro-4-(4-dodecanoylphenyl)phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[2-chloro-4-[4-(1-oxododecyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[2-chloro-4-(4-dodecanoylphenyl)phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[2-chloro-4-(4-lauroylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C31H43ClO4 MolecularWeight: 515.12372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCC)Cl

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCC)Cl

InChI

InChI=1S/C31H43ClO4/c1-4-6-7-8-9-10-11-12-13-15-29(33)26-18-16-25(17-19-26)27-20-21-30(28(32)22-27)35-23-24(3)36-31(34)14-5-2/h16-22,24H,4-15,23H2,1-3H3