6-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)oxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1,1-bis(1-methylpentyl)decoxy]-6-oxo-hexanoic acid CAS Name: 6-(6-hexan-2-yl-5-methylpentadecan-6-yl)oxy-6-oxohexanoic acid IUPAC Name: 6-(6-hexan-2-yl-5-methylpentadecan-6-yl)oxy-6-oxohexanoic acid Traditional Name: 6-[1,1-bis(1-methylpentyl)decoxy]-6-keto-hexanoic acid Formula: C28H54O4 MolecularWeight: 454.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)CCCC)(C(C)CCCC)OC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC(C(C)CCCC)(C(C)CCCC)OC(=O)CCCCC(=O)O

InChI

InChI=1S/C28H54O4/c1-6-9-12-13-14-15-18-23-28(24(4)19-10-7-2,25(5)20-11-8-3)32-27(31)22-17-16-21-26(29)30/h24-25H,6-23H2,1-5H3,(H,29,30)