N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; triethylamine Formula: C30H41N3O6S4 MolecularWeight: 667.92304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)C=C3N(C4=CC=CC=C4S3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CC.C/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)/C=C\3/N(C4=CC=CC=C4S3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C24H26N2O6S4.C6H15N/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24;1-4-7(5-2)6-3/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32);4-6H2,1-3H3