8-ethanoyl-8-(2-methylphenyl)-12-phenylmethoxy-heptadecanoic acid

Systemtic Name: 8-ethanoyl-8-(2-methylphenyl)-12-phenylmethoxy-heptadecanoic acid Openeye Name: 8-acetyl-12-benzyloxy-8-(o-tolyl)heptadecanoic acid CAS Name: 8-acetyl-8-(2-methylphenyl)-12-phenylmethoxyheptadecanoic acid IUPAC Name: 8-acetyl-8-(2-methylphenyl)-12-phenylmethoxyheptadecanoic acid Traditional Name: 8-acetyl-12-benzoxy-8-(o-tolyl)heptadecanoic acid Formula: C33H48O4 MolecularWeight: 508.73182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)O)(C1=CC=CC=C1C)C(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O)(C1=CC=CC=C1C)C(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C33H48O4/c1-4-5-9-20-30(37-26-29-18-10-8-11-19-29)21-16-25-33(28(3)34,31-22-14-13-17-27(31)2)24-15-7-6-12-23-32(35)36/h8,10-11,13-14,17-19,22,30H,4-7,9,12,15-16,20-21,23-26H2,1-3H3,(H,35,36)