sodium 2-[(5-bromanyl-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene)-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(5-bromanyl-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene)-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate Openeye Name: sodium 2-[(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-(5-bromo-3-isopropyl-6-methyl-4-oxo-cyclohex-2-en-1-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(5-bromo-6-methyl-4-oxo-3-propan-2-yl-1-cyclohex-2-enylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(5-bromo-6-methyl-4-oxo-3-propan-2-ylcyclohex-2-en-1-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-(5-bromo-3-isopropyl-4-keto-6-methyl-cyclohex-2-en-1-ylidene)methyl]besylate Formula: C27H29Br2NaO5S MolecularWeight: 648.37893

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C(=CC1=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3C)Br)O)C(C)C)C(C)C)Br.[Na+]

Isomeric SMILES

CC1C(C(=O)C(=CC1=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3C)Br)O)C(C)C)C(C)C)Br.[Na+]

InChI

InChI=1S/C27H30Br2O5S.Na/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6;/h7-15,24,31H,1-6H3,(H,32,33,34);/q;+1/p-1