7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-[3-methoxy-4-(sulfomethylamino)phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 7-[3-methoxy-4-(sulfomethylamino)phenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-[3-methoxy-4-(sulfomethylamino)phenyl]azonaphthalene-1,3-disulfonic acid Formula: C18H17N3O10S3 MolecularWeight: 531.53668

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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

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

InChI

InChI=1S/C18H17N3O10S3/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)