4-(4-carboxyphenyl)sulfonylbenzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 4-(4-carboxyphenyl)sulfonylbenzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 4-(4-carboxyphenyl)sulfonylbenzoate CAS Name: 4-(4-carboxyphenyl)sulfonylbenzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 4-(4-carboxyphenyl)sulfonylbenzoate Traditional Name: benzyl(trimethyl)ammonium; 4-(4-carboxyphenyl)sulfonylbenzoate Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=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)CC1=CC=CC=C1.C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H10O6S.C10H16N/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18;1-11(2,3)9-10-7-5-4-6-8-10/h1-8H,(H,15,16)(H,17,18);4-8H,9H2,1-3H3/q;+1/p-1