sodium 6-[(E)-(3-bromanyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)methyl]-1-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: sodium 6-[(E)-(3-bromanyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)methyl]-1-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)cyclohexa-2,4-diene-1-sulfonate Openeye Name: sodium 1-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-6-[(E)-(3-bromo-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]cyclohexa-2,4-diene-1-sulfonate CAS Name: sodium 1-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-6-[(E)-(3-bromo-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)methyl]-1-cyclohexa-2,4-dienesulfonate IUPAC Name: sodium 1-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-6-[(E)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]cyclohexa-2,4-diene-1-sulfonate Traditional Name: sodium 1-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-6-[(E)-(3-bromo-5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]cyclohexa-2,4-diene-1-sulfonate Formula: C27H29Br2NaO5S MolecularWeight: 648.37893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2(C=CC=CC2C=C3C=C(C(=O)C(=C3C)Br)C(C)C)S(=O)(=O)[O-])C(C)C)O)Br.[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1C2(C=CC=CC2/C=C/3\C=C(C(=O)C(=C3C)Br)C(C)C)S(=O)(=O)[O-])C(C)C)O)Br.[Na+]

InChI

InChI=1S/C27H30Br2O5S.Na/c1-14(2)20-12-18(16(5)23(28)25(20)30)11-19-9-7-8-10-27(19,35(32,33)34)22-13-21(15(3)4)26(31)24(29)17(22)6;/h7-15,19,31H,1-6H3,(H,32,33,34);/q;+1/p-1/b18-11+;