4-bromanyl-2,7-dimethoxy-5,5-bis(oxidanylidene)phenothiazin-3-one

Systemtic Name: 4-bromanyl-2,7-dimethoxy-5,5-bis(oxidanylidene)phenothiazin-3-one Openeye Name: 4-bromo-2,7-dimethoxy-5,5-dioxo-phenothiazin-3-one CAS Name: 4-bromo-2,7-dimethoxy-5,5-dioxo-3-phenothiazinone IUPAC Name: 4-bromo-2,7-dimethoxy-5,5-dioxophenothiazin-3-one Traditional Name: 4-bromo-5,5-diketo-2,7-dimethoxy-phenothiazin-3-one Formula: C14H10BrNO5S MolecularWeight: 384.2019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C3C=C(C(=O)C(=C3S2(=O)=O)Br)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C3C=C(C(=O)C(=C3S2(=O)=O)Br)OC

InChI

InChI=1S/C14H10BrNO5S/c1-20-7-3-4-8-11(5-7)22(18,19)14-9(16-8)6-10(21-2)13(17)12(14)15/h3-6H,1-2H3