4-(4-carboxyphenyl)sulfanylbenzoate; tetrapropylazanium

Systemtic Name: 4-(4-carboxyphenyl)sulfanylbenzoate; tetrapropylazanium Openeye Name: 4-(4-carboxyphenyl)sulfanylbenzoate; tetrapropylammonium CAS Name: 4-[(4-carboxyphenyl)thio]benzoate; tetrapropylammonium IUPAC Name: 4-(4-carboxyphenyl)sulfanylbenzoate; tetrapropylazanium Traditional Name: 4-[(4-carboxyphenyl)thio]benzoate; tetrapropylammonium Formula: C40H46NO8S2- MolecularWeight: 732.92514

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CCC.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

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