1-[2,2-bis[(4-tert-butylphenyl)sulfanyl]ethyl]imidazole; ethanedioic acid

Systemtic Name: 1-[2,2-bis[(4-tert-butylphenyl)sulfanyl]ethyl]imidazole; ethanedioic acid Openeye Name: 1-[2,2-bis[(4-tert-butylphenyl)sulfanyl]ethyl]imidazole; oxalic acid CAS Name: 1-[2,2-bis[(4-tert-butylphenyl)thio]ethyl]imidazole; oxalic acid IUPAC Name: 1-[2,2-bis[(4-tert-butylphenyl)sulfanyl]ethyl]imidazole; oxalic acid Traditional Name: 1-[2,2-bis[(4-tert-butylphenyl)thio]ethyl]imidazole; oxalic acid Formula: C27H34N2O4S2 MolecularWeight: 514.69986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(CN2C=CN=C2)SC3=CC=C(C=C3)C(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(CN2C=CN=C2)SC3=CC=C(C=C3)C(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2S2.C2H2O4/c1-24(2,3)19-7-11-21(12-8-19)28-23(17-27-16-15-26-18-27)29-22-13-9-20(10-14-22)25(4,5)6;3-1(4)2(5)6/h7-16,18,23H,17H2,1-6H3;(H,3,4)(H,5,6)