3,4-dibutyl-6-oxidanyl-5-phenyl-benzene-1,2-disulfonic acid

Systemtic Name: 3,4-dibutyl-6-oxidanyl-5-phenyl-benzene-1,2-disulfonic acid Openeye Name: 3,4-dibutyl-6-hydroxy-5-phenyl-benzene-1,2-disulfonic acid CAS Name: 3,4-dibutyl-6-hydroxy-5-phenylbenzene-1,2-disulfonic acid IUPAC Name: 3,4-dibutyl-6-hydroxy-5-phenylbenzene-1,2-disulfonic acid Traditional Name: 3,4-dibutyl-6-hydroxy-5-phenyl-benzene-1,2-disulfonic acid Formula: C20H26O7S2 MolecularWeight: 442.54624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1CCCC)S(=O)(=O)O)S(=O)(=O)O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1CCCC)S(=O)(=O)O)S(=O)(=O)O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H26O7S2/c1-3-5-12-15-16(13-6-4-2)19(28(22,23)24)20(29(25,26)27)18(21)17(15)14-10-8-7-9-11-14/h7-11,21H,3-6,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27)