3-[3-ethyl-5-phenyl-2-[(Z)-(5-phenyl-3H-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-ethyl-5-phenyl-2-[(Z)-(5-phenyl-3H-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-[3-ethyl-5-phenyl-2-[(Z)-(5-phenyl-3H-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid CAS Name: 3-[3-ethyl-5-phenyl-2-[(Z)-(5-phenyl-3H-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-4-yl]-1-propanesulfonic acid IUPAC Name: 3-[3-ethyl-5-phenyl-2-[(Z)-(5-phenyl-3H-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-[3-ethyl-5-phenyl-2-[(Z)-(5-phenyl-3H-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid Formula: C32H29N2O3S3+ MolecularWeight: 585.77926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C(=C(C=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4NC5=C(S4)C=CC(=C5)C6=CC=CC=C6

Isomeric SMILES

CC[N+]1=C(SC2=C1C(=C(C=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)/C=C\4/NC5=C(S4)C=CC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H28N2O3S3/c1-2-34-31(21-30-33-27-20-24(15-17-28(27)38-30)22-10-5-3-6-11-22)39-29-18-16-25(23-12-7-4-8-13-23)26(32(29)34)14-9-19-40(35,36)37/h3-8,10-13,15-18,20-21H,2,9,14,19H2,1H3,(H,35,36,37)/p+1