2-methoxyethyl 2-[9-oxidanylidene-10-(4-phenylphenyl)thioxanthen-10-ium-2-yl]oxyethanoate

Systemtic Name: 2-methoxyethyl 2-[9-oxidanylidene-10-(4-phenylphenyl)thioxanthen-10-ium-2-yl]oxyethanoate Openeye Name: 2-methoxyethyl 2-[9-oxo-10-(4-phenylphenyl)thioxanthen-10-ium-2-yl]oxyacetate CAS Name: 2-[[9-oxo-10-(4-phenylphenyl)-2-thioxanthen-10-iumyl]oxy]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[9-oxo-10-(4-phenylphenyl)thioxanthen-10-ium-2-yl]oxyacetate Traditional Name: 2-[9-keto-10-(4-phenylphenyl)thioxanthen-10-ium-2-yl]oxyacetic acid 2-methoxyethyl ester Formula: C30H25O5S+ MolecularWeight: 497.5815

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)COC1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COCCOC(=O)COC1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H25O5S/c1-33-17-18-34-29(31)20-35-23-13-16-28-26(19-23)30(32)25-9-5-6-10-27(25)36(28)24-14-11-22(12-15-24)21-7-3-2-4-8-21/h2-16,19H,17-18,20H2,1H3/q+1