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

Systemtic Name: 4-methyl-2-oxidanyl-5-(1-phenylethyl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 2-hydroxy-4-methyl-5-(1-phenylethyl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 2-hydroxy-4-methyl-5-(1-phenylethyl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-5-(1-phenylethyl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 2-hydroxy-4-methyl-5-(1-phenylethyl)-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C30H30O4S MolecularWeight: 486.6218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)C2=CC=CC=C2)S(=O)(=O)O)O)CC3=CC=C(C=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)C2=CC=CC=C2)S(=O)(=O)O)O)CC3=CC=C(C=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C30H30O4S/c1-20(24-10-6-4-7-11-24)26-16-14-23(15-17-26)18-28-22(3)27(19-29(30(28)31)35(32,33)34)21(2)25-12-8-5-9-13-25/h4-17,19-21,31H,18H2,1-3H3,(H,32,33,34)