(1-dodecoxy-1-oxidanylidene-hexan-2-yl) 4-chloranyl-3-methyl-benzoate

Systemtic Name: (1-dodecoxy-1-oxidanylidene-hexan-2-yl) 4-chloranyl-3-methyl-benzoate Openeye Name: 1-dodecoxycarbonylpentyl 4-chloro-3-methyl-benzoate CAS Name: 4-chloro-3-methylbenzoic acid (1-dodecoxy-1-oxohexan-2-yl) ester IUPAC Name: (1-dodecoxy-1-oxohexan-2-yl) 4-chloro-3-methylbenzoate Traditional Name: 4-chloro-3-methyl-benzoic acid 1-lauryloxycarbonylpentyl ester Formula: C26H41ClO4 MolecularWeight: 453.05434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CCCC)OC(=O)C1=CC(=C(C=C1)Cl)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CCCC)OC(=O)C1=CC(=C(C=C1)Cl)C

InChI

InChI=1S/C26H41ClO4/c1-4-6-8-9-10-11-12-13-14-15-19-30-26(29)24(16-7-5-2)31-25(28)22-17-18-23(27)21(3)20-22/h17-18,20,24H,4-16,19H2,1-3H3