2-(2-carboxylatophenyl)sulfanylbenzoate; tetrapropylazanium

Systemtic Name: 2-(2-carboxylatophenyl)sulfanylbenzoate; tetrapropylazanium Openeye Name: 2-(2-carboxylatophenyl)sulfanylbenzoate; tetrapropylammonium CAS Name: 2-[(2-carboxylatophenyl)thio]benzoate; tetrapropylammonium IUPAC Name: 2-(2-carboxylatophenyl)sulfanylbenzoate; tetrapropylazanium Traditional Name: 2-[(2-carboxylatophenyl)thio]benzoate; tetrapropylammonium Formula: C52H72N2O8S2-2 MolecularWeight: 917.26668

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/2C14H10O4S.2C12H28N/c2*15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*1-8H,(H,15,16)(H,17,18);2*5-12H2,1-4H3/q;;2*+1/p-4