[2-(heptanoyloxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate

Systemtic Name: [2-(heptanoyloxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate Openeye Name: [2-(heptanoyloxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate CAS Name: nonanoic acid [2-(1-oxoheptoxymethyl)-2-(1-oxononoxymethyl)butyl] ester IUPAC Name: [2-(heptanoyloxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate Traditional Name: pelargonic acid [2-(enanthyloxymethyl)-2-(pelargonyloxymethyl)butyl] ester Formula: C31H58O6 MolecularWeight: 526.78862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC

InChI

InChI=1S/C31H58O6/c1-5-9-12-15-17-20-23-29(33)36-26-31(8-4,25-35-28(32)22-19-14-11-7-3)27-37-30(34)24-21-18-16-13-10-6-2/h5-27H2,1-4H3