2-decyl-6-(3-methylbutoxycarbonyl)benzoic acid

Systemtic Name: 2-decyl-6-(3-methylbutoxycarbonyl)benzoic acid Openeye Name: 2-decyl-6-isopentyloxycarbonyl-benzoic acid CAS Name: 2-decyl-6-[3-methylbutoxy(oxo)methyl]benzoic acid IUPAC Name: 2-decyl-6-(3-methylbutoxycarbonyl)benzoic acid Traditional Name: 2-decyl-6-isoamoxycarbonyl-benzoic acid Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC(=C1C(=O)O)C(=O)OCCC(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC=CC(=C1C(=O)O)C(=O)OCCC(C)C

InChI

InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-13-19-14-12-15-20(21(19)22(24)25)23(26)27-17-16-18(2)3/h12,14-15,18H,4-11,13,16-17H2,1-3H3,(H,24,25)