methyl 3-[2-(2-hexyldecoxy)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-(2-hexyldecoxy)phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-(2-hexyldecoxy)phenyl]-3-oxo-propanoate CAS Name: 3-[2-(2-hexyldecoxy)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-hexyldecoxy)phenyl]-3-oxopropanoate Traditional Name: 3-[2-(2-hexyldecoxy)phenyl]-3-keto-propionic acid methyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC1=CC=CC=C1C(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC1=CC=CC=C1C(=O)CC(=O)OC

InChI

InChI=1S/C26H42O4/c1-4-6-8-10-11-13-17-22(16-12-9-7-5-2)21-30-25-19-15-14-18-23(25)24(27)20-26(28)29-3/h14-15,18-19,22H,4-13,16-17,20-21H2,1-3H3