3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrapropylazanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrapropylazanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrapropylammonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrapropylammonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrapropylazanium Traditional Name: 3,5-dicarbomethoxybesylic acid; tetrapropylammonium Formula: C22H38NO7S+ MolecularWeight: 460.60462

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCC[N+](CCC)(CCC)CCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C12H28N.C10H10O7S/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h5-12H2,1-4H3;3-5H,1-2H3,(H,13,14,15)/q+1;