(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,4,5-tris(oxidanyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H15NO6S MolecularWeight: 409.4119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C(=C4)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C21H15NO6S/c23-15-9-12(10-16(24)20(15)26)21(27)28-11-19(25)22-13-5-1-3-7-17(13)29-18-8-4-2-6-14(18)22/h1-10,23-24,26H,11H2