3-phenyliminophenothiazine-1,2-disulfonic acid

Systemtic Name: 3-phenyliminophenothiazine-1,2-disulfonic acid Openeye Name: 3-phenyliminophenothiazine-1,2-disulfonic acid CAS Name: 3-phenyliminophenothiazine-1,2-disulfonic acid IUPAC Name: 3-phenyliminophenothiazine-1,2-disulfonic acid Traditional Name: 3-phenyliminophenothiazine-1,2-disulfonic acid Formula: C18H12N2O6S3 MolecularWeight: 448.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C2C=C3C(=NC4=CC=CC=C4S3)C(=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=C2C=C3C(=NC4=CC=CC=C4S3)C(=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12N2O6S3/c21-28(22,23)17-13(19-11-6-2-1-3-7-11)10-15-16(18(17)29(24,25)26)20-12-8-4-5-9-14(12)27-15/h1-10H,(H,21,22,23)(H,24,25,26)