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

Systemtic Name: 4-[2-(3-nitrophenoxy)ethanoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]naphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulfonic acid Formula: C18H14N2O11S2 MolecularWeight: 498.44056

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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-]

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-]

InChI

InChI=1S/C18H14N2O11S2/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)