(E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate

Systemtic Name: (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate Openeye Name: (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate CAS Name: N,N-dipropylcarbamothioic acid S-propyl ester; (E)-11-(3-pentyl-2-oxiranyl)-9-undecenoic acid IUPAC Name: (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate Traditional Name: (E)-11-(3-amyloxiran-2-yl)undec-9-enoic acid; N,N-dipropylthiocarbamic acid S-propyl ester Formula: C28H53NO4S MolecularWeight: 499.78972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)CC=CCCCCCCCC(=O)O.CCCN(CCC)C(=O)SCCC

Isomeric SMILES

CCCCCC1C(O1)C/C=C/CCCCCCCC(=O)O.CCCN(CCC)C(=O)SCCC

InChI

InChI=1S/C18H32O3.C10H21NOS/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20;1-4-7-11(8-5-2)10(12)13-9-6-3/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20);4-9H2,1-3H3/b11-8+;