1,2,5-trimethyl-3-[propan-2-ylsulfanyl-(2,3,5-trimethylphenoxy)phosphoryl]oxy-benzene

Systemtic Name: 1,2,5-trimethyl-3-[propan-2-ylsulfanyl-(2,3,5-trimethylphenoxy)phosphoryl]oxy-benzene Openeye Name: 1-[isopropylsulfanyl-(2,3,5-trimethylphenoxy)phosphoryl]oxy-2,3,5-trimethyl-benzene CAS Name: 1,2,5-trimethyl-3-[(propan-2-ylthio)-(2,3,5-trimethylphenoxy)phosphoryl]oxybenzene IUPAC Name: 1,2,5-trimethyl-3-[propan-2-ylsulfanyl-(2,3,5-trimethylphenoxy)phosphoryl]oxybenzene Traditional Name: 1-[(isopropylthio)-(2,3,5-trimethylphenoxy)phosphoryl]oxy-2,3,5-trimethyl-benzene Formula: C21H29O3PS MolecularWeight: 392.491921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OP(=O)(OC2=CC(=CC(=C2C)C)C)SC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OP(=O)(OC2=CC(=CC(=C2C)C)C)SC(C)C)C)C

InChI

InChI=1S/C21H29O3PS/c1-13(2)26-25(22,23-20-11-14(3)9-16(5)18(20)7)24-21-12-15(4)10-17(6)19(21)8/h9-13H,1-8H3