5,6-bis(chloranyl)-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate

Systemtic Name: 5,6-bis(chloranyl)-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate Openeye Name: 3-allyl-5,6-dichloro-2-methyl-2H-1,3-benzothiazole hexaphosphate CAS Name: 5,6-dichloro-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate IUPAC Name: 5,6-dichloro-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate Traditional Name: 3-allyl-5,6-dichloro-2-methyl-2H-1,3-benzothiazole hexaphosphate Formula: C11H11Cl2NO24P6S-18 MolecularWeight: 830.010906

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC(=C(C=C2S1)Cl)Cl)CC=C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1N(C2=CC(=C(C=C2S1)Cl)Cl)CC=C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C11H11Cl2NS.6H3O4P/c1-3-4-14-7(2)15-11-6-9(13)8(12)5-10(11)14;6*1-5(2,3)4/h3,5-7H,1,4H2,2H3;6*(H3,1,2,3,4)/p-18