4-(4-carboxylatophenyl)sulfanylbenzoate; tetrabutylazanium

Systemtic Name: 4-(4-carboxylatophenyl)sulfanylbenzoate; tetrabutylazanium Openeye Name: 4-(4-carboxylatophenyl)sulfanylbenzoate; tetrabutylammonium CAS Name: 4-[(4-carboxylatophenyl)thio]benzoate; tetrabutylammonium IUPAC Name: 4-(4-carboxylatophenyl)sulfanylbenzoate; tetrabutylazanium Traditional Name: 4-[(4-carboxylatophenyl)thio]benzoate; tetrabutylammonium Formula: C60H88N2O8S2-2 MolecularWeight: 1029.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](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[N+](CCCC)(CCCC)CCCC.CCCC[N+](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/2C16H36N.2C14H10O4S/c2*1-5-9-13-17(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/h2*5-16H2,1-4H3;2*1-8H,(H,15,16)(H,17,18)/q2*+1;;/p-4