4-(4-carboxyphenyl)sulfanylbenzoate; tetrabutylphosphanium

Systemtic Name: 4-(4-carboxyphenyl)sulfanylbenzoate; tetrabutylphosphanium Openeye Name: 4-(4-carboxyphenyl)sulfanylbenzoate; tetrabutylphosphonium CAS Name: 4-[(4-carboxyphenyl)thio]benzoate; tetrabutylphosphonium IUPAC Name: 4-(4-carboxyphenyl)sulfanylbenzoate; tetrabutylphosphanium Traditional Name: 4-[(4-carboxyphenyl)thio]benzoate; tetrabutylphosphonium Formula: C44H54O8PS2- MolecularWeight: 805.998521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C(=O)O)SC2=CC=C(C=C2)C(=O)[O-].C1=CC(=CC=C1C(=O)O)SC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C(=O)O)SC2=CC=C(C=C2)C(=O)[O-].C1=CC(=CC=C1C(=O)O)SC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H36P.2C14H10O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h5-16H2,1-4H3;2*1-8H,(H,15,16)(H,17,18)/q+1;;/p-2