4-(2-chloranylethanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-(2-chloranylethanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(2-chloroacetyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(2-chloro-1-oxoethyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(2-chloroacetyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(2-chloroacetyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C12H10ClNO8S2 MolecularWeight: 395.7927

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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

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCl)O)S(=O)(=O)O

InChI

InChI=1S/C12H10ClNO8S2/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)