2-octadecan-8-yloxycarbonylbenzoic acid

Systemtic Name: 2-octadecan-8-yloxycarbonylbenzoic acid Openeye Name: 2-(1-heptylundecoxycarbonyl)benzoic acid CAS Name: 2-[octadecan-8-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-octadecan-8-yloxycarbonylbenzoic acid Traditional Name: 2-(1-heptylundecoxycarbonyl)benzoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-10-11-13-15-19-22(18-14-12-8-6-4-2)30-26(29)24-21-17-16-20-23(24)25(27)28/h16-17,20-22H,3-15,18-19H2,1-2H3,(H,27,28)