3-azanyl-4-oxidanyl-6-propanoyl-naphthalene-2-sulfonic acid

Systemtic Name: 3-azanyl-4-oxidanyl-6-propanoyl-naphthalene-2-sulfonic acid Openeye Name: 3-amino-4-hydroxy-6-propanoyl-naphthalene-2-sulfonic acid CAS Name: 3-amino-4-hydroxy-6-(1-oxopropyl)-2-naphthalenesulfonic acid IUPAC Name: 3-amino-4-hydroxy-6-propanoylnaphthalene-2-sulfonic acid Traditional Name: 3-amino-4-hydroxy-6-propionyl-naphthalene-2-sulfonic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N)O

Isomeric SMILES

CCC(=O)C1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N)O

InChI

InChI=1S/C13H13NO5S/c1-2-10(15)8-4-3-7-6-11(20(17,18)19)12(14)13(16)9(7)5-8/h3-6,16H,2,14H2,1H3,(H,17,18,19)