2-[(4E)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-yl-pentylidene)-5-oxidanylidene-oxolan-2-yl]ethyl nonanoate

Systemtic Name: 2-[(4E)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-yl-pentylidene)-5-oxidanylidene-oxolan-2-yl]ethyl nonanoate Openeye Name: 2-[(4E)-2-(hydroxymethyl)-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydrofuran-2-yl]ethyl nonanoate CAS Name: nonanoic acid 2-[(4E)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxo-2-oxolanyl]ethyl ester IUPAC Name: 2-[(4E)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]ethyl nonanoate Traditional Name: pelargonic acid 2-[(4E)-4-(3-isopropyl-4-methyl-pentylidene)-5-keto-2-methylol-tetrahydrofuran-2-yl]ethyl ester Formula: C25H44O5 MolecularWeight: 424.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO

Isomeric SMILES

CCCCCCCCC(=O)OCCC1(C/C(=C\CC(C(C)C)C(C)C)/C(=O)O1)CO

InChI

InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-23(27)29-16-15-25(18-26)17-21(24(28)30-25)13-14-22(19(2)3)20(4)5/h13,19-20,22,26H,6-12,14-18H2,1-5H3/b21-13+