5-(1,3-diphenylbutyl)-2-methyl-4-oxidanyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-(1,3-diphenylbutyl)-2-methyl-4-oxidanyl-benzene-1,3-disulfonic acid Openeye Name: 5-(1,3-diphenylbutyl)-4-hydroxy-2-methyl-benzene-1,3-disulfonic acid CAS Name: 5-(1,3-diphenylbutyl)-4-hydroxy-2-methylbenzene-1,3-disulfonic acid IUPAC Name: 5-(1,3-diphenylbutyl)-4-hydroxy-2-methylbenzene-1,3-disulfonic acid Traditional Name: 5-(1,3-diphenylbutyl)-4-hydroxy-2-methyl-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)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24O7S2/c1-15(17-9-5-3-6-10-17)13-19(18-11-7-4-8-12-18)20-14-21(31(25,26)27)16(2)23(22(20)24)32(28,29)30/h3-12,14-15,19,24H,13H2,1-2H3,(H,25,26,27)(H,28,29,30)