sodium 2-[(Z)-(3-bromanyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(Z)-(3-bromanyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate Openeye Name: sodium 2-[(Z)-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-(3-bromo-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(Z)-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(Z)-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(Z)-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-(3-bromo-5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C27H27Br2NaO5S MolecularWeight: 646.36305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28Br2O5S.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;/h7-14,30H,1-6H3,(H,32,33,34);/q;+1/p-1/b23-21+;