3-[5-azanyl-4-ethyl-2-[ethyl(methoxy)amino]-3-methyl-phenyl]naphthalene-1,2-disulfonate

Systemtic Name: 3-[5-azanyl-4-ethyl-2-[ethyl(methoxy)amino]-3-methyl-phenyl]naphthalene-1,2-disulfonate Openeye Name: 3-[5-amino-4-ethyl-2-[ethyl(methoxy)amino]-3-methyl-phenyl]naphthalene-1,2-disulfonate CAS Name: 3-[5-amino-4-ethyl-2-[ethyl(methoxy)amino]-3-methylphenyl]naphthalene-1,2-disulfonate IUPAC Name: 3-[5-amino-4-ethyl-2-[ethyl(methoxy)amino]-3-methylphenyl]naphthalene-1,2-disulfonate Traditional Name: 3-[5-amino-4-ethyl-2-[ethyl(methoxy)amino]-3-methyl-phenyl]naphthalene-1,2-disulfonate Formula: C22H24N2O7S2-2 MolecularWeight: 492.56516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1C)N(CC)OC)C2=CC3=CC=CC=C3C(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N

Isomeric SMILES

CCC1=C(C=C(C(=C1C)N(CC)OC)C2=CC3=CC=CC=C3C(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N

InChI

InChI=1S/C22H26N2O7S2/c1-5-15-13(3)20(24(6-2)31-4)17(12-19(15)23)18-11-14-9-7-8-10-16(14)21(32(25,26)27)22(18)33(28,29)30/h7-12H,5-6,23H2,1-4H3,(H,25,26,27)(H,28,29,30)/p-2