7-(3-chloranylpropanoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-(3-chloranylpropanoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-(3-chloropropanoylamino)-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[(3-chloro-1-oxopropyl)amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-(3-chloropropanoylamino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-(3-chloropropanoylamino)-4-hydroxy-naphthalene-2-sulfonic acid Formula: C13H12ClNO5S MolecularWeight: 329.75608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCCl)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCCl)S(=O)(=O)O)O

InChI

InChI=1S/C13H12ClNO5S/c14-4-3-13(17)15-9-1-2-11-8(5-9)6-10(7-12(11)16)21(18,19)20/h1-2,5-7,16H,3-4H2,(H,15,17)(H,18,19,20)