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6-acetamidocyclohexa-1,5-diene-1-sulfonic acid

6-acetamidocyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name:6-acetamidocyclohexa-1,5-diene-1-sulfonic acid
Openeye Name:6-acetamidocyclohexa-1,5-diene-1-sulfonic acid
CAS Name:6-acetamido-1-cyclohexa-1,5-dienesulfonic acid
IUPAC Name:6-acetamidocyclohexa-1,5-diene-1-sulfonic acid
Traditional Name:6-acetamidocyclohexa-1,5-diene-1-sulfonic acid
Formula: C8H11NO4S
MolecularWeight: 217.24224
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CCCC=C1S(=O)(=O)O


Isomeric SMILES

CC(=O)NC1=CCCC=C1S(=O)(=O)O


InChI

InChI=1S/C8H11NO4S/c1-6(10)9-7-4-2-3-5-8(7)14(11,12)13/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12,13)


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