4-(4-carboxylatophenyl)sulfonylbenzoate; tetrapropylazanium

Systemtic Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrapropylazanium Openeye Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrapropylammonium CAS Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrapropylammonium IUPAC Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrapropylazanium Traditional Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; tetrapropylammonium Formula: C38H64N2O6S MolecularWeight: 676.98956

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H10O6S.2C12H28N/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h1-8H,(H,15,16)(H,17,18);2*5-12H2,1-4H3/q;2*+1/p-2