disodium 2-(3-sulfonatobenzo[g][1]benzothiol-2-yl)benzo[e][1]benzothiole-1-sulfonate

Systemtic Name: disodium 2-(3-sulfonatobenzo[g][1]benzothiol-2-yl)benzo[e][1]benzothiole-1-sulfonate Openeye Name: disodium 2-(3-sulfonatobenzo[g]benzothiophen-2-yl)benzo[e]benzothiophene-1-sulfonate CAS Name: disodium 2-(3-sulfonato-2-benzo[g][1]benzothiolyl)-1-benzo[e][1]benzothiolesulfonate IUPAC Name: disodium 2-(3-sulfonatobenzo[g][1]benzothiol-2-yl)benzo[e][1]benzothiole-1-sulfonate Traditional Name: disodium 2-(3-sulfonatobenzo[g]benzothiophen-2-yl)benzo[e]benzothiophene-1-sulfonate Formula: C24H12Na2O6S4 MolecularWeight: 570.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=C(S3)C4=C(C5=C(S4)C6=CC=CC=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=C(S3)C4=C(C5=C(S4)C6=CC=CC=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H14O6S4.2Na/c25-33(26,27)23-17-11-9-14-6-2-4-8-16(14)20(17)32-21(23)22-24(34(28,29)30)19-15-7-3-1-5-13(15)10-12-18(19)31-22;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2