2,4-bis(1-oxidanylcyclohexyl)thioxanthen-9-one

Systemtic Name: 2,4-bis(1-oxidanylcyclohexyl)thioxanthen-9-one Openeye Name: 2,4-bis(1-hydroxycyclohexyl)thioxanthen-9-one CAS Name: 2,4-bis(1-hydroxycyclohexyl)-9-thioxanthenone IUPAC Name: 2,4-bis(1-hydroxycyclohexyl)thioxanthen-9-one Traditional Name: 2,4-bis(1-hydroxycyclohexyl)thioxanthen-9-one Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC(=C3C(=C2)C(=O)C4=CC=CC=C4S3)C5(CCCCC5)O)O

Isomeric SMILES

C1CCC(CC1)(C2=CC(=C3C(=C2)C(=O)C4=CC=CC=C4S3)C5(CCCCC5)O)O

InChI

InChI=1S/C25H28O3S/c26-22-18-9-3-4-10-21(18)29-23-19(22)15-17(24(27)11-5-1-6-12-24)16-20(23)25(28)13-7-2-8-14-25/h3-4,9-10,15-16,27-28H,1-2,5-8,11-14H2