4-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]carbonylphthalate

Systemtic Name: 4-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]carbonylphthalate Openeye Name: 4-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]carbonylphthalate CAS Name: 4-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxomethyl]phthalate IUPAC Name: 4-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]carbonylphthalate Traditional Name: 4-(3-hydroxy-2-methyl-2-methylol-propoxy)carbonylphthalate Formula: C14H14O8-2 MolecularWeight: 310.25616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(CO)(CO)COC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H16O8/c1-14(5-15,6-16)7-22-13(21)8-2-3-9(11(17)18)10(4-8)12(19)20/h2-4,15-16H,5-7H2,1H3,(H,17,18)(H,19,20)/p-2