2-azanyl-4-(3-oxidanylpropanoyl)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 2-azanyl-4-(3-oxidanylpropanoyl)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 2-amino-4-(3-hydroxypropanoyl)cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 2-amino-4-(3-hydroxy-1-oxopropyl)-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 2-amino-4-(3-hydroxypropanoyl)cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 2-amino-4-(3-hydroxypropanoyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1C(=O)CCO)N)S(=O)(=O)O

Isomeric SMILES

C1CC(=C(C=C1C(=O)CCO)N)S(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c10-7-5-6(8(12)3-4-11)1-2-9(7)16(13,14)15/h5,11H,1-4,10H2,(H,13,14,15)