[2,6-bis(4-methoxyphenyl)thian-4-yl] dodecanoate

Systemtic Name: [2,6-bis(4-methoxyphenyl)thian-4-yl] dodecanoate Openeye Name: [2,6-bis(4-methoxyphenyl)tetrahydrothiopyran-4-yl] dodecanoate CAS Name: dodecanoic acid [2,6-bis(4-methoxyphenyl)-4-thianyl] ester IUPAC Name: [2,6-bis(4-methoxyphenyl)thian-4-yl] dodecanoate Traditional Name: lauric acid [2,6-bis(4-methoxyphenyl)tetrahydrothiopyran-4-yl] ester Formula: C31H44O4S MolecularWeight: 512.74366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CC(SC(C1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CC(SC(C1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C31H44O4S/c1-4-5-6-7-8-9-10-11-12-13-31(32)35-28-22-29(24-14-18-26(33-2)19-15-24)36-30(23-28)25-16-20-27(34-3)21-17-25/h14-21,28-30H,4-13,22-23H2,1-3H3