3-ethyl-5-methoxy-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-5-methoxy-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-5-methoxy-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-5-methoxy-2-[(Z)-(3,5,5-trimethyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-5-methoxy-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-5-methoxy-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium tosylate Formula: C27H33NO4S2 MolecularWeight: 499.68522

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=C3CC(CC(=C3)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C\3/CC(CC(=C3)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26NOS.C7H8O3S/c1-6-21-17-11-16(22-5)7-8-18(17)23-19(21)10-15-9-14(2)12-20(3,4)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h7-11H,6,12-13H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b15-10+;