3-[5-chloranyl-2-[(E)-2-ethoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[5-chloranyl-2-[(E)-2-ethoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[5-chloro-2-[(E)-2-ethoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[5-chloro-2-[(E)-2-ethoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[5-chloro-2-[(E)-2-ethoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[5-chloro-2-[(E)-2-ethoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C15H18ClNO4S2 MolecularWeight: 375.89072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCO/C(=C/C1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])/C

InChI

InChI=1S/C15H18ClNO4S2/c1-3-21-11(2)9-15-17(7-4-8-23(18,19)20)13-10-12(16)5-6-14(13)22-15/h5-6,9-10H,3-4,7-8H2,1-2H3/b11-9+