15-decyl-15-phenylmethoxycarbonyl-hentriacontanedioic acid

Systemtic Name: 15-decyl-15-phenylmethoxycarbonyl-hentriacontanedioic acid Openeye Name: 15-benzyloxycarbonyl-15-decyl-hentriacontanedioic acid CAS Name: 15-decyl-15-phenylmethoxycarbonylhentriacontanedioic acid IUPAC Name: 15-decyl-15-phenylmethoxycarbonylhentriacontanedioic acid Traditional Name: 15-carbobenzoxy-15-decyl-hentriacontanedioic acid Formula: C49H86O6 MolecularWeight: 771.20354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCC(=O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCC(=O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C49H86O6/c1-2-3-4-5-6-21-26-34-41-49(48(54)55-44-45-37-30-29-31-38-45,43-36-28-23-18-14-10-12-16-20-25-33-40-47(52)53)42-35-27-22-17-13-9-7-8-11-15-19-24-32-39-46(50)51/h29-31,37-38H,2-28,32-36,39-44H2,1H3,(H,50,51)(H,52,53)