3,5-bis(octoxycarbonyl)benzenesulfonate; triphenylsulfanium

Systemtic Name: 3,5-bis(octoxycarbonyl)benzenesulfonate; triphenylsulfanium Openeye Name: 3,5-bis(octoxycarbonyl)benzenesulfonate; triphenylsulfonium CAS Name: 3,5-bis[octoxy(oxo)methyl]benzenesulfonate; triphenylsulfonium IUPAC Name: 3,5-bis(octoxycarbonyl)benzenesulfonate; triphenylsulfanium Traditional Name: 3,5-bis(octoxycarbonyl)besylate; triphenylsulfonium Formula: C42H52O7S2 MolecularWeight: 732.98808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCCCCCC.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCCCCCC.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H38O7S.C18H15S/c1-3-5-7-9-11-13-15-30-23(25)20-17-21(19-22(18-20)32(27,28)29)24(26)31-16-14-12-10-8-6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-19H,3-16H2,1-2H3,(H,27,28,29);1-15H/q;+1/p-1