sodium 5-(2-chloranylethanoylamino)-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 5-(2-chloranylethanoylamino)-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 5-[(2-chloroacetyl)amino]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 5-[(2-chloro-1-oxoethyl)amino]-4-hydroxy-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 5-[(2-chloroacetyl)amino]-4-hydroxy-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 5-[(2-chloroacetyl)amino]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate Formula: C12H9ClNNaO8S2 MolecularWeight: 417.77453

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCl)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCl)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H10ClNO8S2.Na/c13-5-11(16)14-9-3-7(23(17,18)19)1-6-2-8(24(20,21)22)4-10(15)12(6)9;/h1-4,15H,5H2,(H,14,16)(H,17,18,19)(H,20,21,22);/q;+1/p-1