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4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetrabutylphosphanium

4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetrabutylphosphanium

Systemtic Name:4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetrabutylphosphanium
Openeye Name:4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetrabutylphosphonium
CAS Name:4-methoxy-5-sulfonatobenzene-1,3-dicarboxylate; tetrabutylphosphonium
IUPAC Name:4-methoxy-5-sulfonatobenzene-1,3-dicarboxylate; tetrabutylphosphanium
Traditional Name:4-methoxy-5-sulfonato-isophthalate; tetrabutylphosphonium
Formula: C57H113O8P3S
MolecularWeight: 1051.488603
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.COC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.COC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/3C16H36P.C9H8O8S/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-17-7-5(9(12)13)2-4(8(10)11)3-6(7)18(14,15)16/h3*5-16H2,1-4H3;2-3H,1H3,(H,10,11)(H,12,13)(H,14,15,16)/q3*+1;/p-3


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