3,3,4,4-tetrakis(7-sulfanylheptyl)cyclohexane-1,1,2,2-tetracarboxylic acid

Systemtic Name: 3,3,4,4-tetrakis(7-sulfanylheptyl)cyclohexane-1,1,2,2-tetracarboxylic acid Openeye Name: 3,3,4,4-tetrakis(7-sulfanylheptyl)cyclohexane-1,1,2,2-tetracarboxylic acid CAS Name: 3,3,4,4-tetrakis(7-mercaptoheptyl)cyclohexane-1,1,2,2-tetracarboxylic acid IUPAC Name: 3,3,4,4-tetrakis(7-sulfanylheptyl)cyclohexane-1,1,2,2-tetracarboxylic acid Traditional Name: 3,3,4,4-tetrakis(7-mercaptoheptyl)cyclohexane-1,1,2,2-tetracarboxylic acid Formula: C38H68O8S4 MolecularWeight: 781.20172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1(CCCCCCCS)CCCCCCCS)(CCCCCCCS)CCCCCCCS)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1CC(C(C(C1(CCCCCCCS)CCCCCCCS)(CCCCCCCS)CCCCCCCS)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C38H68O8S4/c39-31(40)37(32(41)42)26-25-35(21-13-5-1-9-17-27-47,22-14-6-2-10-18-28-48)36(23-15-7-3-11-19-29-49,24-16-8-4-12-20-30-50)38(37,33(43)44)34(45)46/h47-50H,1-30H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)