2-(9-octyloctadecan-9-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(9-octyloctadecan-9-yloxycarbonyl)benzoic acid Openeye Name: 2-(1,1-dioctyldecoxycarbonyl)benzoic acid CAS Name: 2-[9-octyloctadecan-9-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(9-octyloctadecan-9-yloxycarbonyl)benzoic acid Traditional Name: 2-(1,1-dioctyldecoxycarbonyl)benzoic acid Formula: C34H58O4 MolecularWeight: 530.82192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C34H58O4/c1-4-7-10-13-16-19-24-29-34(27-22-17-14-11-8-5-2,28-23-18-15-12-9-6-3)38-33(37)31-26-21-20-25-30(31)32(35)36/h20-21,25-26H,4-19,22-24,27-29H2,1-3H3,(H,35,36)