dodecyl 9-oxidanylidenethioxanthene-1-carboxylate

Systemtic Name: dodecyl 9-oxidanylidenethioxanthene-1-carboxylate Openeye Name: dodecyl 9-oxothioxanthene-1-carboxylate CAS Name: 9-oxo-1-thioxanthenecarboxylic acid dodecyl ester IUPAC Name: dodecyl 9-oxothioxanthene-1-carboxylate Traditional Name: 9-ketothioxanthene-1-carboxylic acid lauryl ester Formula: C26H32O3S MolecularWeight: 424.59548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O3S/c1-2-3-4-5-6-7-8-9-10-13-19-29-26(28)21-16-14-18-23-24(21)25(27)20-15-11-12-17-22(20)30-23/h11-12,14-18H,2-10,13,19H2,1H3