5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonic acid

Systemtic Name: 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonic acid Openeye Name: 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonic acid CAS Name: 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonic acid IUPAC Name: 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonic acid Traditional Name: 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonic acid Formula: C15H14N2O7S3 MolecularWeight: 430.47586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NCOC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NCOC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H14N2O7S3/c1-9-17-14-3-2-10(4-15(14)25-9)16-8-24-11-5-12(26(18,19)20)7-13(6-11)27(21,22)23/h2-7,16H,8H2,1H3,(H,18,19,20)(H,21,22,23)