dimethyl 4-(phenylsulfonyl)heptane-1,7-disulfonate

Systemtic Name: dimethyl 4-(phenylsulfonyl)heptane-1,7-disulfonate Openeye Name: dimethyl 4-(benzenesulfonyl)heptane-1,7-disulfonate CAS Name: 4-(benzenesulfonyl)heptane-1,7-disulfonic acid dimethyl ester IUPAC Name: dimethyl 4-(benzenesulfonyl)heptane-1,7-disulfonate Traditional Name: 4-besylheptane-1,7-disulfonic acid dimethyl ester Formula: C15H24O8S3 MolecularWeight: 428.54126

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCC(CCCS(=O)(=O)OC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COS(=O)(=O)CCCC(CCCS(=O)(=O)OC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H24O8S3/c1-22-24(16,17)12-6-10-15(11-7-13-25(18,19)23-2)26(20,21)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3