[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-phosphono-methyl]phosphonic acid; sodium

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-phosphono-methyl]phosphonic acid; sodium Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-phosphono-methyl]phosphonic acid; sodium CAS Name: [(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-phosphonomethyl]phosphonic acid; sodium IUPAC Name: [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-phosphonomethyl]phosphonic acid; sodium Traditional Name: [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-phosphono-methyl]phosphonic acid; sodium Formula: C15H24NaO7P2 MolecularWeight: 401.284152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C1=O)C(C)(C)C.[Na]

Isomeric SMILES

CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C1=O)C(C)(C)C.[Na]

InChI

InChI=1S/C15H24O7P2.Na/c1-14(2,3)10-7-9(8-11(12(10)16)15(4,5)6)13(23(17,18)19)24(20,21)22;/h7-8H,1-6H3,(H2,17,18,19)(H2,20,21,22);