sodium 2-[(E)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(E)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate Openeye Name: sodium 2-[(E)-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(E)-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(E)-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(E)-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C27H29NaO5S MolecularWeight: 488.57093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=C2C=C(C(=O)C=C2C)C(C)C)C3=CC=CC=C3S(=O)(=O)[O-])C(C)C)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1/C(=C\2/C=C(C(=O)C=C2C)C(C)C)/C3=CC=CC=C3S(=O)(=O)[O-])C(C)C)O.[Na+]

InChI

InChI=1S/C27H30O5S.Na/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6;/h7-16,28H,1-6H3,(H,30,31,32);/q;+1/p-1/b27-23-;