4-methyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: 4-methyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]-5-propan-2-yl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-isopropyl-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]-5-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]-5-propan-2-ylbenzenesulfonic acid Traditional Name: 2-hydroxy-5-isopropyl-4-methyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)C)S(=O)(=O)O)O)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)C)S(=O)(=O)O)O)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C25H28O4S/c1-16(2)22-15-24(30(27,28)29)25(26)23(18(22)4)14-19-10-12-21(13-11-19)17(3)20-8-6-5-7-9-20/h5-13,15-17,26H,14H2,1-4H3,(H,27,28,29)