9-[(E)-(2-phenylthiochromen-4-ylidene)methyl]xanthen-10-ium

Systemtic Name: 9-[(E)-(2-phenylthiochromen-4-ylidene)methyl]xanthen-10-ium Openeye Name: 9-[(E)-(2-phenylthiochromen-4-ylidene)methyl]xanthen-10-ium CAS Name: 9-[(E)-(2-phenyl-1-benzothiopyran-4-ylidene)methyl]xanthen-10-ium IUPAC Name: 9-[(E)-(2-phenylthiochromen-4-ylidene)methyl]xanthen-10-ium Traditional Name: 9-[(E)-(2-phenylthiochromen-4-ylidene)methyl]xanthen-10-ium Formula: C29H19OS+ MolecularWeight: 415.52556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC3=C4C=CC=CC4=[O+]C5=CC=CC=C53)C6=CC=CC=C6S2

Isomeric SMILES

C1=CC=C(C=C1)C2=C/C(=C\C3=C4C=CC=CC4=[O+]C5=CC=CC=C53)/C6=CC=CC=C6S2

InChI

InChI=1S/C29H19OS/c1-2-10-20(11-3-1)29-19-21(22-12-6-9-17-28(22)31-29)18-25-23-13-4-7-15-26(23)30-27-16-8-5-14-24(25)27/h1-19H/q+1/b21-18+