8-(3,4-dichlorophenyl)-8-ethanoyl-2-ethyl-12-phenylmethoxy-heptadecanoic acid

Systemtic Name: 8-(3,4-dichlorophenyl)-8-ethanoyl-2-ethyl-12-phenylmethoxy-heptadecanoic acid Openeye Name: 8-acetyl-12-benzyloxy-8-(3,4-dichlorophenyl)-2-ethyl-heptadecanoic acid CAS Name: 8-acetyl-8-(3,4-dichlorophenyl)-2-ethyl-12-phenylmethoxyheptadecanoic acid IUPAC Name: 8-acetyl-8-(3,4-dichlorophenyl)-2-ethyl-12-phenylmethoxyheptadecanoic acid Traditional Name: 8-acetyl-12-benzoxy-8-(3,4-dichlorophenyl)-2-ethyl-heptadecanoic acid Formula: C34H48Cl2O4 MolecularWeight: 591.64852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCC(CC)C(=O)O)(C1=CC(=C(C=C1)Cl)Cl)C(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(CCCC(CCCCCC(CC)C(=O)O)(C1=CC(=C(C=C1)Cl)Cl)C(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C34H48Cl2O4/c1-4-6-9-18-30(40-25-27-15-10-7-11-16-27)19-14-23-34(26(3)37,29-20-21-31(35)32(36)24-29)22-13-8-12-17-28(5-2)33(38)39/h7,10-11,15-16,20-21,24,28,30H,4-6,8-9,12-14,17-19,22-23,25H2,1-3H3,(H,38,39)