1-chloranyl-4-dodecoxy-10-oxidanylidene-thioxanthen-9-one

Systemtic Name: 1-chloranyl-4-dodecoxy-10-oxidanylidene-thioxanthen-9-one Openeye Name: 1-chloro-4-dodecoxy-10-oxo-thioxanthen-9-one CAS Name: 1-chloro-4-dodecoxy-10-oxo-9-thioxanthenone IUPAC Name: 1-chloro-4-dodecoxy-10-oxothioxanthen-9-one Traditional Name: 1-chloro-10-keto-4-lauryloxy-thioxanthen-9-one Formula: C25H31ClO3S MolecularWeight: 447.02984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2=O

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2=O

InChI

InChI=1S/C25H31ClO3S/c1-2-3-4-5-6-7-8-9-10-13-18-29-21-17-16-20(26)23-24(27)19-14-11-12-15-22(19)30(28)25(21)23/h11-12,14-17H,2-10,13,18H2,1H3