[4-[bis(3-methyl-2-oxidanyl-6-propan-2-yl-phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; hydrogen sulfate

Systemtic Name: [4-[bis(3-methyl-2-oxidanyl-6-propan-2-yl-phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; hydrogen sulfate Openeye Name: [4-[bis(2-hydroxy-6-isopropyl-3-methyl-phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; hydrogen sulfate CAS Name: [4-[bis(2-hydroxy-3-methyl-6-propan-2-ylphenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; hydrogen sulfate IUPAC Name: [4-[bis(2-hydroxy-3-methyl-6-propan-2-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; hydrogen sulfate Traditional Name: [4-[bis(2-hydroxy-6-isopropyl-3-methyl-phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium bisulfate Formula: C29H37NO6S MolecularWeight: 527.67218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)C(=C2C=CC(=[N+](C)C)C=C2)C3=C(C=CC(=C3O)C)C(C)C)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)C(=C2C=CC(=[N+](C)C)C=C2)C3=C(C=CC(=C3O)C)C(C)C)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C29H35NO2.H2O4S/c1-17(2)23-15-9-19(5)28(31)26(23)25(21-11-13-22(14-12-21)30(7)8)27-24(18(3)4)16-10-20(6)29(27)32;1-5(2,3)4/h9-18H,1-8H3,(H,31,32);(H2,1,2,3,4)