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

Systemtic Name: ethyl [3-hexyl-6-(sulfanylmethyl)azulen-1-yl] carbonate Openeye Name: ethyl [3-hexyl-6-(sulfanylmethyl)azulen-1-yl] carbonate CAS Name: carbonic acid ethyl [3-hexyl-6-(mercaptomethyl)-1-azulenyl] ester IUPAC Name: ethyl [3-hexyl-6-(sulfanylmethyl)azulen-1-yl] carbonate Traditional Name: carbonic acid ethyl [3-hexyl-6-(mercaptomethyl)azulen-1-yl] ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=CC=C2C(=C1)OC(=O)OCC)CS

Isomeric SMILES

CCCCCCC1=C2C=CC(=CC=C2C(=C1)OC(=O)OCC)CS

InChI

InChI=1S/C20H26O3S/c1-3-5-6-7-8-16-13-19(23-20(21)22-4-2)18-12-10-15(14-24)9-11-17(16)18/h9-13,24H,3-8,14H2,1-2H3