3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]pent-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]pent-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]pent-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]pent-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]pent-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]pent-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Formula: C27H33N2O5S3+ MolecularWeight: 561.75632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O)C=C3N(C4=C(S3)C=CC(=C4)OC)CC

Isomeric SMILES

CCC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O)/C=C/3\N(C4=C(S3)C=CC(=C4)OC)CC

InChI

InChI=1S/C27H32N2O5S3/c1-5-8-19(15-26-28(6-2)22-17-20(33-3)9-11-24(22)35-26)16-27-29(13-7-14-37(30,31)32)23-18-21(34-4)10-12-25(23)36-27/h9-12,15-18H,5-8,13-14H2,1-4H3/p+1