2-(2-chloranylpropanoylamino)-5-oxidanyl-6H-naphthalene-2-sulfonic acid

Systemtic Name: 2-(2-chloranylpropanoylamino)-5-oxidanyl-6H-naphthalene-2-sulfonic acid Openeye Name: 2-(2-chloropropanoylamino)-5-hydroxy-6H-naphthalene-2-sulfonic acid CAS Name: 2-[(2-chloro-1-oxopropyl)amino]-5-hydroxy-6H-naphthalene-2-sulfonic acid IUPAC Name: 2-(2-chloropropanoylamino)-5-hydroxy-6H-naphthalene-2-sulfonic acid Traditional Name: 2-(2-chloropropanoylamino)-5-hydroxy-6H-naphthalene-2-sulfonic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(C=CC2=C(CC=CC2=C1)O)S(=O)(=O)O)Cl

Isomeric SMILES

CC(C(=O)NC1(C=CC2=C(CC=CC2=C1)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H14ClNO5S/c1-8(14)12(17)15-13(21(18,19)20)6-5-10-9(7-13)3-2-4-11(10)16/h2-3,5-8,16H,4H2,1H3,(H,15,17)(H,18,19,20)