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

Systemtic Name: 2-(8-heptylhexadecan-8-yloxycarbonyl)benzoic acid Openeye Name: 2-(1,1-diheptylnonoxycarbonyl)benzoic acid CAS Name: 2-[8-heptylhexadecan-8-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(8-heptylhexadecan-8-yloxycarbonyl)benzoic acid Traditional Name: 2-(1,1-diheptylnonoxycarbonyl)benzoic acid Formula: C31H52O4 MolecularWeight: 488.74218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC)(CCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCC)(CCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C31H52O4/c1-4-7-10-13-16-21-26-31(24-19-14-11-8-5-2,25-20-15-12-9-6-3)35-30(34)28-23-18-17-22-27(28)29(32)33/h17-18,22-23H,4-16,19-21,24-26H2,1-3H3,(H,32,33)