4-butoxybenzoate; 4-butoxybenzoic acid

Systemtic Name: 4-butoxybenzoate; 4-butoxybenzoic acid Openeye Name: 4-butoxybenzoate; 4-butoxybenzoic acid CAS Name: 4-butoxybenzoate; 4-butoxybenzoic acid IUPAC Name: 4-butoxybenzoate; 4-butoxybenzoic acid Traditional Name: 4-butoxybenzoate; 4-butoxybenzoic acid Formula: C22H27O6- MolecularWeight: 387.44618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)O.CCCCOC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O.CCCCOC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/2C11H14O3/c2*1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2*4-7H,2-3,8H2,1H3,(H,12,13)/p-1