Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide

Base Information

• Chemical Name: Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide
• CAS No.: 63815-95-2
• Molecular Formula: C28H33 N2 O4 S2 . I
• Molecular Weight: 652.60709
• European Community (EC) Number: 264-483-1
• DSSTox Substance ID: DTXSID00886321
• Mol file: 63815-95-2.mol

Synonyms:63815-95-2;EINECS 264-483-1;Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide;Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1);Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-6-methoxy-5-methyl-, iodide;C28H33N2O4S2.I;C28-H33-N2-O4-S2.I;3-(2-CARBOXYETHYL)-2-[2-[(3-ETHYL-6-METHOXY-5-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]BUT-1-ENYL]-6-METHOXY-5-METHYLBENZOTHIAZOLIUM IODIDE;Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-6-methoxy-5-methyl-, iodide (1:1);DTXSID00886321;3-(2-Carboxyethyl)-2-(2-((3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methylbenzothiazolium iodide

Chemical Property of Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 652.09265
• Heavy Atom Count: 37
• Complexity: 836

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: CCC(=CC1=[N+](C2=C(S1)C=C(C(=C2)C)OC)CCC(=O)O)C=C3N(C4=C(S3)C=C(C(=C4)C)OC)CC.[I-]

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