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

Systemtic Name: disodium 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonate Openeye Name: disodium 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonate CAS Name: disodium 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonate IUPAC Name: disodium 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonate Traditional Name: disodium 5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methoxy]benzene-1,3-disulfonate Formula: C15H12N2Na2O7S3 MolecularWeight: 474.43952

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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-].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NCOC3=CC(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H14N2O7S3.2Na/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);;/q;2*+1/p-2