[4-[2-(8-methoxy-9-oxidanylidene-thioxanthen-3-yl)ethynyl]phenyl] ethanoate

Systemtic Name: [4-[2-(8-methoxy-9-oxidanylidene-thioxanthen-3-yl)ethynyl]phenyl] ethanoate Openeye Name: [4-[2-(8-methoxy-9-oxo-thioxanthen-3-yl)ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-(8-methoxy-9-oxo-3-thioxanthenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(8-methoxy-9-oxothioxanthen-3-yl)ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-(9-keto-8-methoxy-thioxanthen-3-yl)ethynyl]phenyl] ester Formula: C24H16O4S MolecularWeight: 400.44644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3)OC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3)OC

InChI

InChI=1S/C24H16O4S/c1-15(25)28-18-11-8-16(9-12-18)6-7-17-10-13-19-22(14-17)29-21-5-3-4-20(27-2)23(21)24(19)26/h3-5,8-14H,1-2H3