4-(4-carboxylatophenyl)sulfonylbenzoate; tetrabutylazanium

Systemtic Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrabutylazanium Openeye Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrabutylammonium CAS Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrabutylammonium IUPAC Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrabutylazanium Traditional Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrabutylammonium Formula: C46H80N2O6S MolecularWeight: 789.2022

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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-])S(=O)(=O)C2=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-])S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/2C16H36N.C14H10O6S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h2*5-16H2,1-4H3;1-8H,(H,15,16)(H,17,18)/q2*+1;/p-2