2,2-bis(hydroxymethyl)butyl prop-2-enoate; 7-methyloctanoic acid

Systemtic Name: 2,2-bis(hydroxymethyl)butyl prop-2-enoate; 7-methyloctanoic acid Openeye Name: 2,2-bis(hydroxymethyl)butyl prop-2-enoate; 7-methyloctanoic acid CAS Name: 7-methyloctanoic acid; 2-propenoic acid 2,2-bis(hydroxymethyl)butyl ester IUPAC Name: 2,2-bis(hydroxymethyl)butyl prop-2-enoate; 7-methyloctanoic acid Traditional Name: acrylic acid 2,2-dimethylolbutyl ester; 7-methylcaprylic acid Formula: C18H34O6 MolecularWeight: 346.45896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)C=C.CC(C)CCCCCC(=O)O

Isomeric SMILES

CCC(CO)(CO)COC(=O)C=C.CC(C)CCCCCC(=O)O

InChI

InChI=1S/C9H16O4.C9H18O2/c1-3-8(12)13-7-9(4-2,5-10)6-11;1-8(2)6-4-3-5-7-9(10)11/h3,10-11H,1,4-7H2,2H3;8H,3-7H2,1-2H3,(H,10,11)