2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methylfuran-2-yl)-1-(phenylsulfonyl)indol-1-ium

Systemtic Name: 2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methylfuran-2-yl)-1-(phenylsulfonyl)indol-1-ium Openeye Name: 1-(benzenesulfonyl)-2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methyl-2-furyl)indol-1-ium CAS Name: 1-(benzenesulfonyl)-2-(1-cyclohepta-2,4,6-trienylidene)-3-(5-methyl-2-furanyl)indol-1-ium IUPAC Name: 1-(benzenesulfonyl)-2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methylfuran-2-yl)indol-1-ium Traditional Name: 1-besyl-2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methyl-2-furyl)indol-1-ium Formula: C26H20NO3S+ MolecularWeight: 426.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C3C=CC=CC3=[N+](C2=C4C=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=C3C=CC=CC3=[N+](C2=C4C=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H20NO3S/c1-19-17-18-24(30-19)25-22-15-9-10-16-23(22)27(26(25)20-11-5-2-3-6-12-20)31(28,29)21-13-7-4-8-14-21/h2-18H,1H3/q+1