4-(2,2-dimethylpentadecan-8-yloxycarbonyl)benzoic acid

Systemtic Name: 4-(2,2-dimethylpentadecan-8-yloxycarbonyl)benzoic acid Openeye Name: 4-(1-heptyl-7,7-dimethyl-octoxy)carbonylbenzoic acid CAS Name: 4-[2,2-dimethylpentadecan-8-yloxy(oxo)methyl]benzoic acid IUPAC Name: 4-(2,2-dimethylpentadecan-8-yloxycarbonyl)benzoic acid Traditional Name: 4-(1-heptyl-7,7-dimethyl-octoxy)carbonylbenzoic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-5-6-7-8-10-13-22(14-11-9-12-19-25(2,3)4)29-24(28)21-17-15-20(16-18-21)23(26)27/h15-18,22H,5-14,19H2,1-4H3,(H,26,27)