10-(2-dimethylaminoethyl)-7-oxidanyl-5,5-bis(oxidanylidene)phenothiazine-3-sulfonic acid

Systemtic Name: 10-(2-dimethylaminoethyl)-7-oxidanyl-5,5-bis(oxidanylidene)phenothiazine-3-sulfonic acid Openeye Name: 10-(2-dimethylaminoethyl)-7-hydroxy-5,5-dioxo-phenothiazine-3-sulfonic acid CAS Name: 10-(2-dimethylaminoethyl)-7-hydroxy-5,5-dioxo-3-phenothiazinesulfonic acid IUPAC Name: 10-(2-dimethylaminoethyl)-7-hydroxy-5,5-dioxophenothiazine-3-sulfonic acid Traditional Name: 10-(2-dimethylaminoethyl)-7-hydroxy-5,5-diketo-phenothiazine-3-sulfonic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)O)S(=O)(=O)C3=C1C=CC(=C3)S(=O)(=O)O

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)O)S(=O)(=O)C3=C1C=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O6S2/c1-17(2)7-8-18-13-5-3-11(19)9-15(13)25(20,21)16-10-12(26(22,23)24)4-6-14(16)18/h3-6,9-10,19H,7-8H2,1-2H3,(H,22,23,24)