4-methoxy-3-methyl-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid

Systemtic Name: 4-methoxy-3-methyl-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid Openeye Name: 4-methoxy-3-methyl-6-(3-sulfoanilino)naphthalene-2-sulfonic acid CAS Name: 4-methoxy-3-methyl-6-(3-sulfoanilino)-2-naphthalenesulfonic acid IUPAC Name: 4-methoxy-3-methyl-6-(3-sulfoanilino)naphthalene-2-sulfonic acid Traditional Name: 4-methoxy-3-methyl-6-(3-sulfoanilino)naphthalene-2-sulfonic acid Formula: C18H17NO7S2 MolecularWeight: 423.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1OC)NC3=CC(=CC=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1OC)NC3=CC(=CC=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H17NO7S2/c1-11-17(28(23,24)25)8-12-6-7-14(10-16(12)18(11)26-2)19-13-4-3-5-15(9-13)27(20,21)22/h3-10,19H,1-2H3,(H,20,21,22)(H,23,24,25)