2-henicosan-11-yloxycarbonylbenzoic acid

Systemtic Name: 2-henicosan-11-yloxycarbonylbenzoic acid Openeye Name: 2-(1-decylundecoxycarbonyl)benzoic acid CAS Name: 2-[heneicosan-11-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-henicosan-11-yloxycarbonylbenzoic acid Traditional Name: 2-(1-decylundecoxycarbonyl)benzoic acid Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O4/c1-3-5-7-9-11-13-15-17-21-25(22-18-16-14-12-10-8-6-4-2)33-29(32)27-24-20-19-23-26(27)28(30)31/h19-20,23-25H,3-18,21-22H2,1-2H3,(H,30,31)