[2-ethyl-3-oxidanylidene-3,4-di(propan-2-yl)-1,3$l^{5}-oxaphosphetan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethyl-3-oxidanylidene-3,4-di(propan-2-yl)-1,3$l^{5}-oxaphosphetan-2-yl] 4-methylbenzenesulfonate Openeye Name: (2-ethyl-3,4-diisopropyl-3-oxo-1,3$l^{5}-oxaphosphetan-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethyl-3-oxo-3,4-di(propan-2-yl)-1,3$l^{5}-oxaphosphetan-2-yl] ester IUPAC Name: [2-ethyl-3-oxo-3,4-di(propan-2-yl)-1,3$l^{5}-oxaphosphetan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-3,4-diisopropyl-3-keto-1,3$l^{5}-oxaphosphetan-2-yl) ester Formula: C17H27O5PS MolecularWeight: 374.432041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OC(P1(=O)C(C)C)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1(OC(P1(=O)C(C)C)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H27O5PS/c1-7-17(21-16(12(2)3)23(17,18)13(4)5)22-24(19,20)15-10-8-14(6)9-11-15/h8-13,16H,7H2,1-6H3