4-(4-carboxylatophenyl)sulfonylbenzoate; trimethyl(phenyl)azanium

Systemtic Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; trimethyl(phenyl)azanium Openeye Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; trimethyl(phenyl)ammonium CAS Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; trimethyl(phenyl)ammonium IUPAC Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; trimethyl(phenyl)azanium Traditional Name: 4-(4-carboxylatophenyl)sulfonylbenzoate; trimethyl(phenyl)ammonium Formula: C32H36N2O6S MolecularWeight: 576.70304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10O6S.2C9H14N/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18;2*1-10(2,3)9-7-5-4-6-8-9/h1-8H,(H,15,16)(H,17,18);2*4-8H,1-3H3/q;2*+1/p-2