5-chloranyl-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate

Systemtic Name: 5-chloranyl-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate Openeye Name: 3-allyl-5-chloro-2-methyl-2H-1,3-benzothiazole hexaphosphate CAS Name: 5-chloro-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate IUPAC Name: 5-chloro-2-methyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate Traditional Name: 3-allyl-5-chloro-2-methyl-2H-1,3-benzothiazole hexaphosphate Formula: C11H12ClNO24P6S-18 MolecularWeight: 795.565846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)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=C(S1)C=CC(=C2)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/C11H12ClNS.6H3O4P/c1-3-6-13-8(2)14-11-5-4-9(12)7-10(11)13;6*1-5(2,3)4/h3-5,7-8H,1,6H2,2H3;6*(H3,1,2,3,4)/p-18