ethyl (3-hexyl-5-sulfanyl-azulen-1-yl) carbonate

Systemtic Name: ethyl (3-hexyl-5-sulfanyl-azulen-1-yl) carbonate Openeye Name: ethyl (3-hexyl-5-sulfanyl-azulen-1-yl) carbonate CAS Name: carbonic acid ethyl (3-hexyl-5-mercapto-1-azulenyl) ester IUPAC Name: ethyl (3-hexyl-5-sulfanylazulen-1-yl) carbonate Traditional Name: carbonic acid ethyl (3-hexyl-5-mercapto-azulen-1-yl) ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C1=CC(=CC=C2)S)OC(=O)OCC

Isomeric SMILES

CCCCCCC1=CC(=C2C1=CC(=CC=C2)S)OC(=O)OCC

InChI

InChI=1S/C19H24O3S/c1-3-5-6-7-9-14-12-18(22-19(20)21-4-2)16-11-8-10-15(23)13-17(14)16/h8,10-13,23H,3-7,9H2,1-2H3