2-(2-carboxylatophenyl)sulfinylbenzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-(2-carboxylatophenyl)sulfinylbenzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-(2-carboxylatophenyl)sulfinylbenzoate CAS Name: 2-(2-carboxylatophenyl)sulfinylbenzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-(2-carboxylatophenyl)sulfinylbenzoate Traditional Name: benzyl(trimethyl)ammonium; 2-(2-carboxylatophenyl)sulfinylbenzoate Formula: C34H40N2O5S MolecularWeight: 588.7568

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)[O-])S(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)[O-])S(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H10O5S.2C10H16N/c15-13(16)9-5-1-3-7-11(9)20(19)12-8-4-2-6-10(12)14(17)18;2*1-11(2,3)9-10-7-5-4-6-8-10/h1-8H,(H,15,16)(H,17,18);2*4-8H,9H2,1-3H3/q;2*+1/p-2