2-octadecoxycarbonylbenzoic acid

Systemtic Name: 2-octadecoxycarbonylbenzoic acid Openeye Name: 2-octadecoxycarbonylbenzoic acid CAS Name: 2-[octadecoxy(oxo)methyl]benzoic acid IUPAC Name: 2-octadecoxycarbonylbenzoic acid Traditional Name: 2-stearyloxycarbonylbenzoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(29)24-21-18-17-20-23(24)25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)