2-[(4-ethoxyphenyl)methylsulfonyl]butanedioic acid

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfonyl]butanedioic acid Openeye Name: 2-[(4-ethoxyphenyl)methylsulfonyl]butanedioic acid CAS Name: 2-[(4-ethoxyphenyl)methylsulfonyl]butanedioic acid IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfonyl]butanedioic acid Traditional Name: 2-(4-ethoxybenzyl)sulfonylsuccinic acid Formula: C13H16O7S MolecularWeight: 316.32694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CS(=O)(=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CS(=O)(=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H16O7S/c1-2-20-10-5-3-9(4-6-10)8-21(18,19)11(13(16)17)7-12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15)(H,16,17)