[2-[(2Z,4E)-5-methoxy-3-methyl-penta-2,4-dienyl]phenyl]phosphanium; 1,2,3-trimethylbenzene; chloride

Systemtic Name: [2-[(2Z,4E)-5-methoxy-3-methyl-penta-2,4-dienyl]phenyl]phosphanium; 1,2,3-trimethylbenzene; chloride Openeye Name: [2-[(2Z,4E)-5-methoxy-3-methyl-penta-2,4-dienyl]phenyl]phosphonium; 1,2,3-trimethylbenzene; chloride CAS Name: [2-[(2Z,4E)-5-methoxy-3-methylpenta-2,4-dienyl]phenyl]phosphonium; 1,2,3-trimethylbenzene; chloride IUPAC Name: [2-[(2Z,4E)-5-methoxy-3-methylpenta-2,4-dienyl]phenyl]phosphanium; 1,2,3-trimethylbenzene; chloride Traditional Name: hemimellitene; [2-[(2Z,4E)-5-methoxy-3-methyl-penta-2,4-dienyl]phenyl]phosphonium; chloride Formula: C22H30ClOP MolecularWeight: 376.899761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C.CC(=CCC1=CC=CC=C1[PH3+])C=COC.[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)C.C/C(=C/CC1=CC=CC=C1[PH3+])/C=C/OC.[Cl-]

InChI

InChI=1S/C13H17OP.C9H12.ClH/c1-11(9-10-14-2)7-8-12-5-3-4-6-13(12)15;1-7-5-4-6-8(2)9(7)3;/h3-7,9-10H,8,15H2,1-2H3;4-6H,1-3H3;1H/b10-9+,11-7-;;