4-(3-butoxyphenyl)sulfonyloxyphthalic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

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