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

Systemtic Name: 2-[(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(4-oxidanyl-3-propan-2-yl-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-[(4-hydroxy-3-isopropyl-phenyl)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(4-hydroxy-3-propan-2-ylphenyl)-(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(4-hydroxy-3-propan-2-ylphenyl)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(4-hydroxy-3-isopropyl-phenyl)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid Formula: C26H28O5S MolecularWeight: 452.56252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=C(C2=CC(=C(C=C2)O)C(C)C)C3=CC=CC=C3S(=O)(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=O)C(=CC1=C(C2=CC(=C(C=C2)O)C(C)C)C3=CC=CC=C3S(=O)(=O)O)C(C)C

InChI

InChI=1S/C26H28O5S/c1-15(2)20-13-18(10-11-23(20)27)26(19-8-6-7-9-25(19)32(29,30)31)22-14-21(16(3)4)24(28)12-17(22)5/h6-16,27H,1-5H3,(H,29,30,31)