3-(azocan-1-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-(azocan-1-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(azocane-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[1-azocanyl(oxo)methyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(azocane-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(azocane-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H21NO4S/c23-20-16-8-4-5-9-18(16)27(25,26)19-14-15(10-11-17(19)20)21(24)22-12-6-2-1-3-7-13-22/h4-5,8-11,14H,1-3,6-7,12-13H2