2-[2-methyl-5-(6-sulfonylcyclohexa-1,3-dien-1-yl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[2-methyl-5-(6-sulfonylcyclohexa-1,3-dien-1-yl)phenyl]sulfonylethanoic acid Openeye Name: 2-[2-methyl-5-(6-sulfonylcyclohexa-1,3-dien-1-yl)phenyl]sulfonylacetic acid CAS Name: 2-[2-methyl-5-(6-sulfonyl-1-cyclohexa-1,3-dienyl)phenyl]sulfonylacetic acid IUPAC Name: 2-[2-methyl-5-(6-sulfonylcyclohexa-1,3-dien-1-yl)phenyl]sulfonylacetic acid Traditional Name: 2-[2-methyl-5-(6-sulfonylcyclohexa-1,3-dien-1-yl)phenyl]sulfonylacetic acid Formula: C15H14O6S2 MolecularWeight: 354.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=CCC2=S(=O)=O)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=CCC2=S(=O)=O)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C15H14O6S2/c1-10-6-7-11(8-14(10)23(20,21)9-15(16)17)12-4-2-3-5-13(12)22(18)19/h2-4,6-8H,5,9H2,1H3,(H,16,17)