Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 36437-64-6
• Molecular Formula: C32H34N2O5S3
• Molecular Weight: 622.8178
• DSSTox Substance ID: DTXSID5067978

Synonyms:36437-64-6;Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-6-methoxy-, 4-methylbenzenesulfonate (1:1);Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1);Benzothiazolium, 3-ethyl-2-[5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl]-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1);C25H27N2O2S2.C7H7O3S;C25-H27-N2-O2-S2.C7-H7-O3-S;DTXSID5067978

Chemical Property of Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 622.16298571
• Heavy Atom Count: 42
• Complexity: 821

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Useful:

• Canonical SMILES: CCN1C2=C(C=C(C=C2)OC)SC1=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• Isomeric SMILES: CCN\1C2=C(C=C(C=C2)OC)S/C1=C\C=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

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