chloranylbenzene; 1,3,5-trisulfonylcyclohexane

Systemtic Name: chloranylbenzene; 1,3,5-trisulfonylcyclohexane Openeye Name: chlorobenzene; 1,3,5-trisulfonylcyclohexane CAS Name: chlorobenzene; 1,3,5-trisulfonylcyclohexane IUPAC Name: chlorobenzene; 1,3,5-trisulfonylcyclohexane Traditional Name: chlorobenzene; 1,3,5-trisulfonylcyclohexane Formula: C12H11ClO6S3 MolecularWeight: 382.86014

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S(=O)=O)CC(=S(=O)=O)CC1=S(=O)=O.C1=CC=C(C=C1)Cl

Isomeric SMILES

C1C(=S(=O)=O)CC(=S(=O)=O)CC1=S(=O)=O.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C6H5Cl.C6H6O6S3/c7-6-4-2-1-3-5-6;7-13(8)4-1-5(14(9)10)3-6(2-4)15(11)12/h1-5H;1-3H2