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

Systemtic Name: 2-[(3-bromanyl-5-methyl-4-oxidanylidene-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-[(3-bromo-4-hydroxy-2-isopropyl-5-methyl-phenyl)-(3-bromo-2-isopropyl-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(3-bromo-4-hydroxy-5-methyl-2-propan-2-ylphenyl)-(3-bromo-5-methyl-4-oxo-2-propan-2-yl-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(3-bromo-4-hydroxy-5-methyl-2-propan-2-ylphenyl)-(3-bromo-5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(3-bromo-4-hydroxy-2-isopropyl-5-methyl-phenyl)-(3-bromo-2-isopropyl-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid Formula: C27H28Br2O5S MolecularWeight: 624.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)O)C3=CC(=C(C(=C3C(C)C)Br)O)C)C(=C(C1=O)Br)C(C)C

Isomeric SMILES

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)O)C3=CC(=C(C(=C3C(C)C)Br)O)C)C(=C(C1=O)Br)C(C)C

InChI

InChI=1S/C27H28Br2O5S/c1-13(2)21-18(11-15(5)26(30)24(21)28)23(17-9-7-8-10-20(17)35(32,33)34)19-12-16(6)27(31)25(29)22(19)14(3)4/h7-14,30H,1-6H3,(H,32,33,34)