4,6-dimethyl-2-oxidanyl-5-[[4-(1-phenylethyl)phenyl]methyl]benzene-1,3-disulfonic acid

Systemtic Name: 4,6-dimethyl-2-oxidanyl-5-[[4-(1-phenylethyl)phenyl]methyl]benzene-1,3-disulfonic acid Openeye Name: 2-hydroxy-4,6-dimethyl-5-[[4-(1-phenylethyl)phenyl]methyl]benzene-1,3-disulfonic acid CAS Name: 2-hydroxy-4,6-dimethyl-5-[[4-(1-phenylethyl)phenyl]methyl]benzene-1,3-disulfonic acid IUPAC Name: 2-hydroxy-4,6-dimethyl-5-[[4-(1-phenylethyl)phenyl]methyl]benzene-1,3-disulfonic acid Traditional Name: 2-hydroxy-4,6-dimethyl-5-[4-(1-phenylethyl)benzyl]benzene-1,3-disulfonic acid Formula: C23H24O7S2 MolecularWeight: 476.56246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1S(=O)(=O)O)O)S(=O)(=O)O)C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=C1S(=O)(=O)O)O)S(=O)(=O)O)C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C23H24O7S2/c1-14(18-7-5-4-6-8-18)19-11-9-17(10-12-19)13-20-15(2)22(31(25,26)27)21(24)23(16(20)3)32(28,29)30/h4-12,14,24H,13H2,1-3H3,(H,25,26,27)(H,28,29,30)