2-(12-methyltridecan-6-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(12-methyltridecan-6-yloxycarbonyl)benzoic acid Openeye Name: 2-(7-methyl-1-pentyl-octoxy)carbonylbenzoic acid CAS Name: 2-[12-methyltridecan-6-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(12-methyltridecan-6-yloxycarbonyl)benzoic acid Traditional Name: 2-(1-amyl-7-methyl-octoxy)carbonylbenzoic acid Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCC(C)C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCC(CCCCCC(C)C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C22H34O4/c1-4-5-7-13-18(14-9-6-8-12-17(2)3)26-22(25)20-16-11-10-15-19(20)21(23)24/h10-11,15-18H,4-9,12-14H2,1-3H3,(H,23,24)