trisodium 7-[[3-methoxy-4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: trisodium 7-[[3-methoxy-4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: trisodium 7-[3-methoxy-4-(sulfonatomethylamino)phenyl]azonaphthalene-1,3-disulfonate CAS Name: trisodium 7-[3-methoxy-4-(sulfonatomethylamino)phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: trisodium 7-[[3-methoxy-4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: trisodium 7-[3-methoxy-4-(sulfonatomethylamino)phenyl]azonaphthalene-1,3-disulfonate Formula: C18H14N3Na3O10S3 MolecularWeight: 597.48217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H17N3O10S3.3Na/c1-31-17-8-13(4-5-16(17)19-10-32(22,23)24)21-20-12-3-2-11-6-14(33(25,26)27)9-18(15(11)7-12)34(28,29)30;;;/h2-9,19H,10H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3