ethyl [3-pentyl-6-(sulfanylmethyl)azulen-1-yl] carbonate

Systemtic Name: ethyl [3-pentyl-6-(sulfanylmethyl)azulen-1-yl] carbonate Openeye Name: ethyl [3-pentyl-6-(sulfanylmethyl)azulen-1-yl] carbonate CAS Name: carbonic acid ethyl [6-(mercaptomethyl)-3-pentyl-1-azulenyl] ester IUPAC Name: ethyl [3-pentyl-6-(sulfanylmethyl)azulen-1-yl] carbonate Traditional Name: carbonic acid [3-amyl-6-(mercaptomethyl)azulen-1-yl] ethyl ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=CC=C2C(=C1)OC(=O)OCC)CS

Isomeric SMILES

CCCCCC1=C2C=CC(=CC=C2C(=C1)OC(=O)OCC)CS

InChI

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