3,5-bis(methoxycarbonyl)benzenesulfonate; octadecyl(triphenyl)phosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; octadecyl(triphenyl)phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; octadecyl(triphenyl)phosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; octadecyl(triphenyl)phosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; octadecyl(triphenyl)phosphanium Traditional Name: 3,5-dicarbomethoxybesylate; triphenyl(stearyl)phosphonium Formula: C46H61O7PS MolecularWeight: 789.011101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

InChI

InChI=1S/C36H52P.C10H10O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-37(34-27-20-17-21-28-34,35-29-22-18-23-30-35)36-31-24-19-25-32-36;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h17-25,27-32H,2-16,26,33H2,1H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1