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

Systemtic Name: 1-[2-chloranyl-4-(4-dodecanoylphenyl)phenoxy]propan-2-yl 4-methylhexanoate Openeye Name: [2-[2-chloro-4-(4-dodecanoylphenyl)phenoxy]-1-methyl-ethyl] 4-methylhexanoate CAS Name: 4-methylhexanoic 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 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-[2-chloro-4-(4-lauroylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C34H49ClO4 MolecularWeight: 557.20346

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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(C)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C34H49ClO4/c1-5-7-8-9-10-11-12-13-14-15-32(36)29-19-17-28(18-20-29)30-21-22-33(31(35)24-30)38-25-27(4)39-34(37)23-16-26(3)6-2/h17-22,24,26-27H,5-16,23,25H2,1-4H3