3,5-bis(methoxycarbonyl)benzenesulfonic acid; 5,6-dibutylhexadecan-5-ylphosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; 5,6-dibutylhexadecan-5-ylphosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; 1,1,2-tributyldodecylphosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; 5,6-dibutylhexadecan-5-ylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; 5,6-dibutylhexadecan-5-ylphosphanium Traditional Name: 3,5-dicarbomethoxybesylic acid; 1,1,2-tributyldodecylphosphonium Formula: C34H62O7PS+ MolecularWeight: 645.890641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[PH3+].COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[PH3+].COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C24H51P.C10H10O7S/c1-5-9-13-14-15-16-17-18-20-23(19-10-6-2)24(25,21-11-7-3)22-12-8-4;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h23H,5-22,25H2,1-4H3;3-5H,1-2H3,(H,13,14,15)/p+1