3,5-bis(hexadecoxycarbonyl)benzenesulfonate; triphenylsulfanium

Systemtic Name: 3,5-bis(hexadecoxycarbonyl)benzenesulfonate; triphenylsulfanium Openeye Name: 3,5-bis(hexadecoxycarbonyl)benzenesulfonate; triphenylsulfonium CAS Name: 3,5-bis[hexadecoxy(oxo)methyl]benzenesulfonate; triphenylsulfonium IUPAC Name: 3,5-bis(hexadecoxycarbonyl)benzenesulfonate; triphenylsulfanium Traditional Name: 3,5-bis(cetyloxycarbonyl)besylate; triphenylsulfonium Formula: C58H84O7S2 MolecularWeight: 957.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCCCCCCCCCCCCCC.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCCCCCCCCCCCCCC.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C40H70O7S.C18H15S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-46-39(41)36-33-37(35-38(34-36)48(43,44)45)40(42)47-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h33-35H,3-32H2,1-2H3,(H,43,44,45);1-15H/q;+1/p-1