sodium 1-azanyl-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(1,3-benzothiazol-2-ylthio)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(1,3-benzothiazol-2-ylthio)-9,10-diketo-anthracene-2-sulfonate Formula: C21H11N2NaO5S3 MolecularWeight: 490.50721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC5=CC=CC=C5S4)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC5=CC=CC=C5S4)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C21H12N2O5S3.Na/c22-18-15(31(26,27)28)9-14(30-21-23-12-7-3-4-8-13(12)29-21)16-17(18)20(25)11-6-2-1-5-10(11)19(16)24;/h1-9H,22H2,(H,26,27,28);/q;+1/p-1