5-chloranyl-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-chloranyl-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 5-chloro-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 5-chloro-3-ethyl-2-[(E)-(4-methyl-1-benzopyran-2-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 5-chloro-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 5-chloro-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium tosylate Formula: C27H24ClNO4S2 MolecularWeight: 526.06676

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=C3C=C(C4=CC=CC=C4O3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C/3\C=C(C4=CC=CC=C4O3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H17ClNOS.C7H8O3S/c1-3-22-17-11-14(21)8-9-19(17)24-20(22)12-15-10-13(2)16-6-4-5-7-18(16)23-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-12H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b15-12+;