2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylic acid

Systemtic Name: 2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylic acid Openeye Name: 2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylic acid CAS Name: 2,4,6-tricyclohexyl-3,5-disulfonyl-1-cyclohexenecarboxylic acid IUPAC Name: 2,4,6-tricyclohexyl-3,5-disulfonylcyclohexene-1-carboxylic acid Traditional Name: 2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylic acid Formula: C25H36O6S2 MolecularWeight: 496.67974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(=S(=O)=O)C(C(=S(=O)=O)C(=C2C(=O)O)C3CCCCC3)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2C(=S(=O)=O)C(C(=S(=O)=O)C(=C2C(=O)O)C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C25H36O6S2/c26-25(27)22-19(16-10-4-1-5-11-16)23(32(28)29)21(18-14-8-3-9-15-18)24(33(30)31)20(22)17-12-6-2-7-13-17/h16-19,21H,1-15H2,(H,26,27)