1-chloranyl-4-dodecoxy-3-methyl-thioxanthen-9-one

Systemtic Name: 1-chloranyl-4-dodecoxy-3-methyl-thioxanthen-9-one Openeye Name: 1-chloro-4-dodecoxy-3-methyl-thioxanthen-9-one CAS Name: 1-chloro-4-dodecoxy-3-methyl-9-thioxanthenone IUPAC Name: 1-chloro-4-dodecoxy-3-methylthioxanthen-9-one Traditional Name: 1-chloro-4-lauryloxy-3-methyl-thioxanthen-9-one Formula: C26H33ClO2S MolecularWeight: 445.05702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C(=C(C=C1C)Cl)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=C(C=C1C)Cl)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C26H33ClO2S/c1-3-4-5-6-7-8-9-10-11-14-17-29-25-19(2)18-21(27)23-24(28)20-15-12-13-16-22(20)30-26(23)25/h12-13,15-16,18H,3-11,14,17H2,1-2H3