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octadecyl 9-oxidanylidenethioxanthene-1-carboxylate

octadecyl 9-oxidanylidenethioxanthene-1-carboxylate

Systemtic Name:octadecyl 9-oxidanylidenethioxanthene-1-carboxylate
Openeye Name:octadecyl 9-oxothioxanthene-1-carboxylate
CAS Name:9-oxo-1-thioxanthenecarboxylic acid octadecyl ester
IUPAC Name:octadecyl 9-oxothioxanthene-1-carboxylate
Traditional Name:9-ketothioxanthene-1-carboxylic acid stearyl ester
Formula: C32H44O3S
MolecularWeight: 508.75496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O


InChI

InChI=1S/C32H44O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-35-32(34)27-22-20-24-29-30(27)31(33)26-21-17-18-23-28(26)36-29/h17-18,20-24H,2-16,19,25H2,1H3


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