2,4-bis(1-oxidanylbutyl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(1-oxidanylbutyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(1-hydroxybutyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(1-hydroxybutyl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(1-hydroxybutyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(1-hydroxybutyl)isophthalate Formula: C16H20O6-2 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=C(C=C1)C(=O)[O-])C(CCC)O)C(=O)[O-])O

Isomeric SMILES

CCCC(C1=C(C(=C(C=C1)C(=O)[O-])C(CCC)O)C(=O)[O-])O

InChI

InChI=1S/C16H22O6/c1-3-5-11(17)9-7-8-10(15(19)20)13(12(18)6-4-2)14(9)16(21)22/h7-8,11-12,17-18H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p-2