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2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylate

2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylate

Systemtic Name:2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylate
Openeye Name:2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylate
CAS Name:2,4,6-tricyclohexyl-3,5-disulfonyl-1-cyclohexenecarboxylate
IUPAC Name:2,4,6-tricyclohexyl-3,5-disulfonylcyclohexene-1-carboxylate
Traditional Name:2,4,6-tricyclohexyl-3,5-disulfonyl-cyclohexene-1-carboxylate
Formula: C25H35O6S2-
MolecularWeight: 495.6718
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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)/p-1


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