[1,3-dithian-2-yl(phenyl)methyl] but-3-enoate

Systemtic Name: [1,3-dithian-2-yl(phenyl)methyl] but-3-enoate Openeye Name: [1,3-dithian-2-yl(phenyl)methyl] but-3-enoate CAS Name: 3-butenoic acid [1,3-dithian-2-yl(phenyl)methyl] ester IUPAC Name: [1,3-dithian-2-yl(phenyl)methyl] but-3-enoate Traditional Name: but-3-enoic acid [1,3-dithian-2-yl(phenyl)methyl] ester Formula: C15H18O2S2 MolecularWeight: 294.43222

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)OC(C1SCCCS1)C2=CC=CC=C2

Isomeric SMILES

C=CCC(=O)OC(C1SCCCS1)C2=CC=CC=C2

InChI

InChI=1S/C15H18O2S2/c1-2-7-13(16)17-14(12-8-4-3-5-9-12)15-18-10-6-11-19-15/h2-5,8-9,14-15H,1,6-7,10-11H2