4-[4-[3-(methoxymethylamino)-3-oxidanylidene-propoxy]phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[3-(methoxymethylamino)-3-oxidanylidene-propoxy]phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-[3-(methoxymethylamino)-3-oxo-propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-[3-(methoxymethylamino)-3-oxopropoxy]phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-[3-(methoxymethylamino)-3-oxopropoxy]phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[3-keto-3-(methoxymethylamino)propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C17H23NO8S MolecularWeight: 401.43142

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Descriptors Computed from Structure

Canonical SMILES:

COCNC(=O)CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCOCC2)C(=O)O

Isomeric SMILES

COCNC(=O)CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCOCC2)C(=O)O

InChI

InChI=1S/C17H23NO8S/c1-24-12-18-15(19)6-9-26-13-2-4-14(5-3-13)27(22,23)17(16(20)21)7-10-25-11-8-17/h2-5H,6-12H2,1H3,(H,18,19)(H,20,21)