(5,6,7-triacetyloxy-10-isothiocyanato-decan-4-yl) ethanoate

Systemtic Name: (5,6,7-triacetyloxy-10-isothiocyanato-decan-4-yl) ethanoate Openeye Name: (2,3,4-triacetoxy-7-isothiocyanato-1-propyl-heptyl) acetate CAS Name: acetic acid (5,6,7-triacetyloxy-10-isothiocyanatodecan-4-yl) ester IUPAC Name: (5,6,7-triacetyloxy-10-isothiocyanatodecan-4-yl) acetate Traditional Name: acetic acid (2,3,4-triacetoxy-7-isothiocyanato-1-propyl-heptyl) ester Formula: C19H29NO8S MolecularWeight: 431.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C(CCCN=C=S)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCC(C(C(C(CCCN=C=S)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H29NO8S/c1-6-8-16(25-12(2)21)18(27-14(4)23)19(28-15(5)24)17(26-13(3)22)9-7-10-20-11-29/h16-19H,6-10H2,1-5H3