4-(2-chloranylethanoylamino)-3-oxidanyl-naphthalene-1-sulfonate

Systemtic Name: 4-(2-chloranylethanoylamino)-3-oxidanyl-naphthalene-1-sulfonate Openeye Name: 4-[(2-chloroacetyl)amino]-3-hydroxy-naphthalene-1-sulfonate CAS Name: 4-[(2-chloro-1-oxoethyl)amino]-3-hydroxy-1-naphthalenesulfonate IUPAC Name: 4-[(2-chloroacetyl)amino]-3-hydroxynaphthalene-1-sulfonate Traditional Name: 4-[(2-chloroacetyl)amino]-3-hydroxy-naphthalene-1-sulfonate Formula: C12H9ClNO5S- MolecularWeight: 314.72156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2NC(=O)CCl)O)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NC(=O)CCl)O)S(=O)(=O)[O-]

InChI

InChI=1S/C12H10ClNO5S/c13-6-11(16)14-12-8-4-2-1-3-7(8)10(5-9(12)15)20(17,18)19/h1-5,15H,6H2,(H,14,16)(H,17,18,19)/p-1