2-tetratriacontan-17-yloxycarbonylbenzoic acid

Systemtic Name: 2-tetratriacontan-17-yloxycarbonylbenzoic acid Openeye Name: 2-(1-hexadecyloctadecoxycarbonyl)benzoic acid CAS Name: 2-[oxo(tetratriacontan-17-yloxy)methyl]benzoic acid IUPAC Name: 2-tetratriacontan-17-yloxycarbonylbenzoic acid Traditional Name: 2-(1-cetyloctadecoxycarbonyl)benzoic acid Formula: C42H74O4 MolecularWeight: 643.03456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C42H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-38(46-42(45)40-37-33-32-36-39(40)41(43)44)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-38H,3-31,34-35H2,1-2H3,(H,43,44)