4-(12-methyltridecan-6-yloxycarbonyl)benzoic acid

Systemtic Name: 4-(12-methyltridecan-6-yloxycarbonyl)benzoic acid Openeye Name: 4-(7-methyl-1-pentyl-octoxy)carbonylbenzoic acid CAS Name: 4-[12-methyltridecan-6-yloxy(oxo)methyl]benzoic acid IUPAC Name: 4-(12-methyltridecan-6-yloxycarbonyl)benzoic acid Traditional Name: 4-(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=C(C=C1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4/c1-4-5-7-11-20(12-9-6-8-10-17(2)3)26-22(25)19-15-13-18(14-16-19)21(23)24/h13-17,20H,4-12H2,1-3H3,(H,23,24)