4-[2-(1-adamantyloxycarbonyl)-2-methyl-butyl]-6-methyl-9-(oxan-2-yloxy)-9-oxidanylidene-nonanoic acid

Systemtic Name: 4-[2-(1-adamantyloxycarbonyl)-2-methyl-butyl]-6-methyl-9-(oxan-2-yloxy)-9-oxidanylidene-nonanoic acid Openeye Name: 4-[2-(1-adamantyloxycarbonyl)-2-methyl-butyl]-6-methyl-9-oxo-9-tetrahydropyran-2-yloxy-nonanoic acid CAS Name: 4-[2-[1-adamantyloxy(oxo)methyl]-2-methylbutyl]-6-methyl-9-(2-oxanyloxy)-9-oxononanoic acid IUPAC Name: 4-[2-(1-adamantyloxycarbonyl)-2-methylbutyl]-6-methyl-9-(oxan-2-yloxy)-9-oxononanoic acid Traditional Name: 4-[2-(1-adamantyloxycarbonyl)-2-methyl-butyl]-9-keto-6-methyl-9-tetrahydropyran-2-yloxy-pelargonic acid Formula: C31H50O7 MolecularWeight: 534.7245

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(CCC(=O)O)CC(C)CCC(=O)OC1CCCCO1)C(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(CC(CCC(=O)O)CC(C)CCC(=O)OC1CCCCO1)C(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C31H50O7/c1-4-30(3,29(35)38-31-18-23-14-24(19-31)16-25(15-23)20-31)17-22(9-10-26(32)33)13-21(2)8-11-27(34)37-28-7-5-6-12-36-28/h21-25,28H,4-20H2,1-3H3,(H,32,33)