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

Systemtic Name: 4-methyl-2,5-bis(oxidanyl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 2,5-dihydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 2,5-dihydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 2,5-dihydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 2,5-dihydroxy-4-methyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1O)S(=O)(=O)O)O)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1O)S(=O)(=O)O)O)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-14(17-6-4-3-5-7-17)18-10-8-16(9-11-18)12-19-15(2)20(23)13-21(22(19)24)28(25,26)27/h3-11,13-14,23-24H,12H2,1-2H3,(H,25,26,27)