4-(4-carboxylatophenyl)sulfanylbenzoate; tetramethylazanium

Systemtic Name: 4-(4-carboxylatophenyl)sulfanylbenzoate; tetramethylazanium Openeye Name: 4-(4-carboxylatophenyl)sulfanylbenzoate; tetramethylammonium CAS Name: 4-[(4-carboxylatophenyl)thio]benzoate; tetramethylammonium IUPAC Name: 4-(4-carboxylatophenyl)sulfanylbenzoate; tetramethylazanium Traditional Name: 4-[(4-carboxylatophenyl)thio]benzoate; tetramethylammonium Formula: C36H40N2O8S2-2 MolecularWeight: 692.8414

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C.C[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])SC2=CC=C(C=C2)C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])SC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C.C[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])SC2=CC=C(C=C2)C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])SC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/2C14H10O4S.2C4H12N/c2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;2*1-5(2,3)4/h2*1-8H,(H,15,16)(H,17,18);2*1-4H3/q;;2*+1/p-4