4-[4-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-(5-hydroxy-5-oxo-pentoxy)phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-(5-hydroxy-5-oxopentoxy)phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-(5-hydroxy-5-oxopentoxy)phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(5-hydroxy-5-keto-pentoxy)phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C17H22O8S MolecularWeight: 386.41678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCCC(=O)O

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCCC(=O)O

InChI

InChI=1S/C17H22O8S/c18-15(19)3-1-2-10-25-13-4-6-14(7-5-13)26(22,23)17(16(20)21)8-11-24-12-9-17/h4-7H,1-3,8-12H2,(H,18,19)(H,20,21)