2-(2-methylheptadecan-8-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(2-methylheptadecan-8-yloxycarbonyl)benzoic acid Openeye Name: 2-[1-(6-methylheptyl)decoxycarbonyl]benzoic acid CAS Name: 2-[2-methylheptadecan-8-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(2-methylheptadecan-8-yloxycarbonyl)benzoic acid Traditional Name: 2-[1-(6-methylheptyl)decoxycarbonyl]benzoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-4-5-6-7-8-9-12-17-22(18-13-10-11-16-21(2)3)30-26(29)24-20-15-14-19-23(24)25(27)28/h14-15,19-22H,4-13,16-18H2,1-3H3,(H,27,28)