15-decyl-15-(2-phenoxyethoxycarbonyl)hentriacontanedioic acid

Systemtic Name: 15-decyl-15-(2-phenoxyethoxycarbonyl)hentriacontanedioic acid Openeye Name: 15-decyl-15-(2-phenoxyethoxycarbonyl)hentriacontanedioic acid CAS Name: 15-decyl-15-[oxo(2-phenoxyethoxy)methyl]hentriacontanedioic acid IUPAC Name: 15-decyl-15-(2-phenoxyethoxycarbonyl)hentriacontanedioic acid Traditional Name: 15-decyl-15-(2-phenoxyethoxycarbonyl)hentriacontanedioic acid Formula: C50H88O7 MolecularWeight: 801.22952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCC(=O)O)C(=O)OCCOC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCC(=O)O)C(=O)OCCOC1=CC=CC=C1

InChI

InChI=1S/C50H88O7/c1-2-3-4-5-6-21-26-34-41-50(49(55)57-45-44-56-46-37-30-29-31-38-46,43-36-28-23-18-14-10-12-16-20-25-33-40-48(53)54)42-35-27-22-17-13-9-7-8-11-15-19-24-32-39-47(51)52/h29-31,37-38H,2-28,32-36,39-45H2,1H3,(H,51,52)(H,53,54)