3-[4-[5-methyl-4-[3,3,4,4-tetrakis(fluoranyl)-2-[5-(4-hydroxyphenyl)-2-methyl-thiophen-3-yl]-5,5-dimethoxy-cyclopenten-1-yl]thiophen-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[5-methyl-4-[3,3,4,4-tetrakis(fluoranyl)-2-[5-(4-hydroxyphenyl)-2-methyl-thiophen-3-yl]-5,5-dimethoxy-cyclopenten-1-yl]thiophen-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[5-methyl-4-[3,3,4,4-tetrafluoro-2-[5-(4-hydroxyphenyl)-2-methyl-3-thienyl]-5,5-dimethoxy-cyclopenten-1-yl]-2-thienyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[5-methyl-4-[3,3,4,4-tetrafluoro-2-[5-(4-hydroxyphenyl)-2-methyl-3-thiophenyl]-5,5-dimethoxy-1-cyclopentenyl]-2-thiophenyl]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[5-methyl-4-[3,3,4,4-tetrafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]-5,5-dimethoxycyclopenten-1-yl]thiophen-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[5-methyl-4-[3,3,4,4-tetrafluoro-2-[5-(4-hydroxyphenyl)-2-methyl-3-thienyl]-5,5-dimethoxy-cyclopenten-1-yl]-2-thienyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C31H30F4NO6S3+ MolecularWeight: 684.761613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=CC=C(C=C2)O)C3=C(C(C(C3(F)F)(F)F)(OC)OC)C4=C(SC(=C4)C5=CC=[N+](C=C5)CCCS(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(S1)C2=CC=C(C=C2)O)C3=C(C(C(C3(F)F)(F)F)(OC)OC)C4=C(SC(=C4)C5=CC=[N+](C=C5)CCCS(=O)(=O)O)C

InChI

InChI=1S/C31H29F4NO6S3/c1-18-23(16-25(43-18)20-6-8-22(37)9-7-20)27-28(30(41-3,42-4)31(34,35)29(27,32)33)24-17-26(44-19(24)2)21-10-13-36(14-11-21)12-5-15-45(38,39)40/h6-11,13-14,16-17H,5,12,15H2,1-4H3,(H-,37,38,39,40)/p+1