disodium 7-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-(4-amino-5-methoxy-2-methyl-phenyl)azonaphthalene-1,3-disulfonate CAS Name: disodium 7-(4-amino-5-methoxy-2-methylphenyl)azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-(4-amino-5-methoxy-2-methyl-phenyl)azonaphthalene-1,3-disulfonate Formula: C18H15N3Na2O7S2 MolecularWeight: 495.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+]

InChI

InChI=1S/C18H17N3O7S2.2Na/c1-10-5-15(19)17(28-2)9-16(10)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27;;/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2