[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2-methylprop-2-enoate; 6-methylheptanoic acid

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2-methylprop-2-enoate; 6-methylheptanoic acid Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate; 6-methylheptanoic acid CAS Name: 6-methylheptanoic acid; 2-methyl-2-propenoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate; 6-methylheptanoic acid Traditional Name: 2-methylacrylic acid (3-hydroxy-2,2-dimethylol-propyl) ester; 6-methylenanthic acid Formula: C25H48O9 MolecularWeight: 492.64322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)O.CC(C)CCCCC(=O)O.CC(=C)C(=O)OCC(CO)(CO)CO

Isomeric SMILES

CC(C)CCCCC(=O)O.CC(C)CCCCC(=O)O.CC(=C)C(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C9H16O5.2C8H16O2/c1-7(2)8(13)14-6-9(3-10,4-11)5-12;2*1-7(2)5-3-4-6-8(9)10/h10-12H,1,3-6H2,2H3;2*7H,3-6H2,1-2H3,(H,9,10)