sodium 2-[tert-butyl(phenyl)phosphanyl]-4-methyl-benzenesulfonate

Systemtic Name: sodium 2-[tert-butyl(phenyl)phosphanyl]-4-methyl-benzenesulfonate Openeye Name: sodium 2-[tert-butyl(phenyl)phosphanyl]-4-methyl-benzenesulfonate CAS Name: sodium 2-[tert-butyl(phenyl)phosphino]-4-methylbenzenesulfonate IUPAC Name: sodium 2-[tert-butyl(phenyl)phosphanyl]-4-methylbenzenesulfonate Traditional Name: sodium 2-[tert-butyl(phenyl)phosphino]-4-methyl-besylate Formula: C17H20NaO3PS MolecularWeight: 358.367431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2)C(C)(C)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2)C(C)(C)C.[Na+]

InChI

InChI=1S/C17H21O3PS.Na/c1-13-10-11-16(22(18,19)20)15(12-13)21(17(2,3)4)14-8-6-5-7-9-14;/h5-12H,1-4H3,(H,18,19,20);/q;+1/p-1