disodium 4-[2-(3-nitrophenoxy)ethanoylamino]-5-oxidanyl-naphthalene-1,7-disulfonate

Systemtic Name: disodium 4-[2-(3-nitrophenoxy)ethanoylamino]-5-oxidanyl-naphthalene-1,7-disulfonate Openeye Name: disodium 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonate CAS Name: disodium 5-hydroxy-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]naphthalene-1,7-disulfonate IUPAC Name: disodium 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonate Traditional Name: disodium 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonate Formula: C18H12N2Na2O11S2 MolecularWeight: 542.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O)[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O)[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H14N2O11S2.2Na/c21-15-8-12(32(25,26)27)7-13-16(33(28,29)30)5-4-14(18(13)15)19-17(22)9-31-11-3-1-2-10(6-11)20(23)24;;/h1-8,21H,9H2,(H,19,22)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2