butane-1,4-diol; 2,3-dimethylterephthalate

Systemtic Name: butane-1,4-diol; 2,3-dimethylterephthalate Openeye Name: butane-1,4-diol; 2,3-dimethylterephthalate CAS Name: butane-1,4-diol; 2,3-dimethylterephthalate IUPAC Name: butane-1,4-diol; 2,3-dimethylterephthalate Traditional Name: butane-1,4-diol; 2,3-dimethylterephthalate Formula: C14H18O6-2 MolecularWeight: 282.28912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)C(=O)[O-])C(=O)[O-].C(CCO)CO

Isomeric SMILES

CC1=C(C=CC(=C1C)C(=O)[O-])C(=O)[O-].C(CCO)CO

InChI

InChI=1S/C10H10O4.C4H10O2/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12;5-3-1-2-4-6/h3-4H,1-2H3,(H,11,12)(H,13,14);5-6H,1-4H2/p-2