4-[2,2-bis(hydroxymethyl)butoxycarbonyl]phthalate

Systemtic Name: 4-[2,2-bis(hydroxymethyl)butoxycarbonyl]phthalate Openeye Name: 4-[2,2-bis(hydroxymethyl)butoxycarbonyl]phthalate CAS Name: 4-[2,2-bis(hydroxymethyl)butoxy-oxomethyl]phthalate IUPAC Name: 4-[2,2-bis(hydroxymethyl)butoxycarbonyl]phthalate Traditional Name: 4-(2,2-dimethylolbutoxycarbonyl)phthalate Formula: C15H16O8-2 MolecularWeight: 324.28274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O8/c1-2-15(6-16,7-17)8-23-14(22)9-3-4-10(12(18)19)11(5-9)13(20)21/h3-5,16-17H,2,6-8H2,1H3,(H,18,19)(H,20,21)/p-2