5-decyl-5-methyl-4-phenylmethoxy-3-propyl-thiophen-2-one

Systemtic Name: 5-decyl-5-methyl-4-phenylmethoxy-3-propyl-thiophen-2-one Openeye Name: 4-benzyloxy-5-decyl-5-methyl-3-propyl-thiophen-2-one CAS Name: 5-decyl-5-methyl-4-phenylmethoxy-3-propyl-2-thiophenone IUPAC Name: 5-decyl-5-methyl-4-phenylmethoxy-3-propylthiophen-2-one Traditional Name: 4-benzoxy-5-decyl-5-methyl-3-propyl-thiophen-2-one Formula: C25H38O2S MolecularWeight: 402.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C(=C(C(=O)S1)CCC)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCC1(C(=C(C(=O)S1)CCC)OCC2=CC=CC=C2)C

InChI

InChI=1S/C25H38O2S/c1-4-6-7-8-9-10-11-15-19-25(3)23(22(16-5-2)24(26)28-25)27-20-21-17-13-12-14-18-21/h12-14,17-18H,4-11,15-16,19-20H2,1-3H3