4-(3-butoxyphenoxy)sulfonylphthalic acid

Systemtic Name: 4-(3-butoxyphenoxy)sulfonylphthalic acid Openeye Name: 4-(3-butoxyphenoxy)sulfonylphthalic acid CAS Name: 4-(3-butoxyphenoxy)sulfonylphthalic acid IUPAC Name: 4-(3-butoxyphenoxy)sulfonylphthalic acid Traditional Name: 4-(3-butoxyphenoxy)sulfonylphthalic acid Formula: C18H18O8S MolecularWeight: 394.39572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O8S/c1-2-3-9-25-12-5-4-6-13(10-12)26-27(23,24)14-7-8-15(17(19)20)16(11-14)18(21)22/h4-8,10-11H,2-3,9H2,1H3,(H,19,20)(H,21,22)