5-(phenothiazin-3-ylideneamino)benzene-1,3-disulfonic acid

Systemtic Name: 5-(phenothiazin-3-ylideneamino)benzene-1,3-disulfonic acid Openeye Name: 5-(phenothiazin-3-ylideneamino)benzene-1,3-disulfonic acid CAS Name: 5-(3-phenothiazinylideneamino)benzene-1,3-disulfonic acid IUPAC Name: 5-(phenothiazin-3-ylideneamino)benzene-1,3-disulfonic acid Traditional Name: 5-(phenothiazin-3-ylideneamino)benzene-1,3-disulfonic acid Formula: C18H12N2O6S3 MolecularWeight: 448.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=NC4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C=C3S2

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=NC4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C=C3S2

InChI

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