[1,2-bis(4-octoxyphenyl)-2-oxidanylidene-ethyl] piperidine-1-carbodithioate

Systemtic Name: [1,2-bis(4-octoxyphenyl)-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [1,2-bis(4-octoxyphenyl)-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [1,2-bis(4-octoxyphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-octoxyphenyl)-2-oxoethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-keto-1,2-bis(4-octoxyphenyl)ethyl] ester Formula: C36H53NO3S2 MolecularWeight: 611.94092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OCCCCCCCC)SC(=S)N3CCCCC3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OCCCCCCCC)SC(=S)N3CCCCC3

InChI

InChI=1S/C36H53NO3S2/c1-3-5-7-9-11-16-28-39-32-22-18-30(19-23-32)34(38)35(42-36(41)37-26-14-13-15-27-37)31-20-24-33(25-21-31)40-29-17-12-10-8-6-4-2/h18-25,35H,3-17,26-29H2,1-2H3