5-[(2-nitrophenyl)methoxy]-4-oxidanyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-[(2-nitrophenyl)methoxy]-4-oxidanyl-benzene-1,3-disulfonic acid Openeye Name: 4-hydroxy-5-[(2-nitrophenyl)methoxy]benzene-1,3-disulfonic acid CAS Name: 4-hydroxy-5-[(2-nitrophenyl)methoxy]benzene-1,3-disulfonic acid IUPAC Name: 4-hydroxy-5-[(2-nitrophenyl)methoxy]benzene-1,3-disulfonic acid Traditional Name: 4-hydroxy-5-(2-nitrobenzyl)oxy-benzene-1,3-disulfonic acid Formula: C13H11NO10S2 MolecularWeight: 405.35714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC(=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC(=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO10S2/c15-13-11(24-7-8-3-1-2-4-10(8)14(16)17)5-9(25(18,19)20)6-12(13)26(21,22)23/h1-6,15H,7H2,(H,18,19,20)(H,21,22,23)