disodium 4-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-hydroxy-naphthalene-2,7-disulfonate Formula: C19H9Cl2N3Na2O8S2 MolecularWeight: 588.3056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])N=C(C(=N2)Cl)Cl.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])N=C(C(=N2)Cl)Cl.[Na+].[Na+]

InChI

InChI=1S/C19H11Cl2N3O8S2.2Na/c20-17-18(21)23-13-5-8(1-2-12(13)22-17)19(26)24-14-6-10(33(27,28)29)3-9-4-11(34(30,31)32)7-15(25)16(9)14;;/h1-7,25H,(H,24,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2