2,2-bis(7-methyloctanoyloxymethyl)butyl 7-methyloctanoate

Systemtic Name: 2,2-bis(7-methyloctanoyloxymethyl)butyl 7-methyloctanoate Openeye Name: 2,2-bis(7-methyloctanoyloxymethyl)butyl 7-methyloctanoate CAS Name: 7-methyloctanoic acid 2,2-bis[(7-methyl-1-oxooctoxy)methyl]butyl ester IUPAC Name: 2,2-bis(7-methyloctanoyloxymethyl)butyl 7-methyloctanoate Traditional Name: 7-methylcaprylic acid 2,2-bis(7-methyloctanoyloxymethyl)butyl ester Formula: C33H62O6 MolecularWeight: 554.84178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

Isomeric SMILES

CCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

InChI

InChI=1S/C33H62O6/c1-8-33(24-37-30(34)21-15-9-12-18-27(2)3,25-38-31(35)22-16-10-13-19-28(4)5)26-39-32(36)23-17-11-14-20-29(6)7/h27-29H,8-26H2,1-7H3