butane-1,4-diol; 2-butoxycarbonylbenzoic acid

Systemtic Name: butane-1,4-diol; 2-butoxycarbonylbenzoic acid Openeye Name: butane-1,4-diol; 2-butoxycarbonylbenzoic acid CAS Name: butane-1,4-diol; 2-[butoxy(oxo)methyl]benzoic acid IUPAC Name: butane-1,4-diol; 2-butoxycarbonylbenzoic acid Traditional Name: butane-1,4-diol; 2-butoxycarbonylbenzoic acid Formula: C16H24O6 MolecularWeight: 312.35816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)O.C(CCO)CO

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)O.C(CCO)CO

InChI

InChI=1S/C12H14O4.C4H10O2/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14;5-3-1-2-4-6/h4-7H,2-3,8H2,1H3,(H,13,14);5-6H,1-4H2