2-butyl-2-methoxy-1,3-diphenyl-propane-1,3-dione; 4-phenyl-1H-benzimidazole-2-sulfonic acid

Systemtic Name: 2-butyl-2-methoxy-1,3-diphenyl-propane-1,3-dione; 4-phenyl-1H-benzimidazole-2-sulfonic acid Openeye Name: 2-butyl-2-methoxy-1,3-diphenyl-propane-1,3-dione; 4-phenyl-1H-benzimidazole-2-sulfonic acid CAS Name: 2-butyl-2-methoxy-1,3-diphenylpropane-1,3-dione; 4-phenyl-1H-benzimidazole-2-sulfonic acid IUPAC Name: 2-butyl-2-methoxy-1,3-diphenylpropane-1,3-dione; 4-phenyl-1H-benzimidazole-2-sulfonic acid Traditional Name: 2-butyl-2-methoxy-1,3-diphenyl-propane-1,3-dione; 4-phenyl-1H-benzimidazole-2-sulfonic acid Formula: C33H32N2O6S MolecularWeight: 584.68198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC.C1=CC=C(C=C1)C2=C3C(=CC=C2)NC(=N3)S(=O)(=O)O

Isomeric SMILES

CCCCC(C(=O)C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC.C1=CC=C(C=C1)C2=C3C(=CC=C2)NC(=N3)S(=O)(=O)O

InChI

InChI=1S/C20H22O3.C13H10N2O3S/c1-3-4-15-20(23-2,18(21)16-11-7-5-8-12-16)19(22)17-13-9-6-10-14-17;16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9/h5-14H,3-4,15H2,1-2H3;1-8H,(H,14,15)(H,16,17,18)