2-(15-methylhexadecoxycarbonyl)benzoic acid

Systemtic Name: 2-(15-methylhexadecoxycarbonyl)benzoic acid Openeye Name: 2-(15-methylhexadecoxycarbonyl)benzoic acid CAS Name: 2-[15-methylhexadecoxy(oxo)methyl]benzoic acid IUPAC Name: 2-(15-methylhexadecoxycarbonyl)benzoic acid Traditional Name: 2-(15-methylhexadecoxycarbonyl)benzoic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C25H40O4/c1-21(2)17-13-11-9-7-5-3-4-6-8-10-12-16-20-29-25(28)23-19-15-14-18-22(23)24(26)27/h14-15,18-19,21H,3-13,16-17,20H2,1-2H3,(H,26,27)