methanol; oxidanylidenevanadium; phosphonato phosphate; 2,4,6-trimethylpyridin-1-ium

Systemtic Name: methanol; oxidanylidenevanadium; phosphonato phosphate; 2,4,6-trimethylpyridin-1-ium Openeye Name: methanol; oxovanadium; phosphonato phosphate; 2,4,6-trimethylpyridin-1-ium CAS Name: methanol; oxovanadium; phosphonato phosphate; 2,4,6-trimethylpyridin-1-ium IUPAC Name: methanol; oxovanadium; phosphonato phosphate; 2,4,6-trimethylpyridin-1-ium Traditional Name: ketovanadium; methanol; phosphonato phosphate; 2,4,6-trimethylpyridin-1-ium Formula: C36H64N4O22P4V4-4 MolecularWeight: 1232.568004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)C)C.CC1=CC(=[NH+]C(=C1)C)C.CC1=CC(=[NH+]C(=C1)C)C.CC1=CC(=[NH+]C(=C1)C)C.CO.CO.CO.CO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].O=[V].O=[V].O=[V].O=[V]

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)C)C.CC1=CC(=[NH+]C(=C1)C)C.CC1=CC(=[NH+]C(=C1)C)C.CC1=CC(=[NH+]C(=C1)C)C.CO.CO.CO.CO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].O=[V].O=[V].O=[V].O=[V]

InChI

InChI=1S/4C8H11N.4CH4O.2H4O7P2.4O.4V/c4*1-6-4-7(2)9-8(3)5-6;4*1-2;2*1-8(2,3)7-9(4,5)6;;;;;;;;/h4*4-5H,1-3H3;4*2H,1H3;2*(H2,1,2,3)(H2,4,5,6);;;;;;;;/p-4