3-methylsulfanyl-1-phenylmethoxy-2-propoxy-cyclohexa-1,3-diene

Systemtic Name: 3-methylsulfanyl-1-phenylmethoxy-2-propoxy-cyclohexa-1,3-diene Openeye Name: 1-benzyloxy-3-methylsulfanyl-2-propoxy-cyclohexa-1,3-diene CAS Name: 3-(methylthio)-1-phenylmethoxy-2-propoxycyclohexa-1,3-diene IUPAC Name: 3-methylsulfanyl-1-phenylmethoxy-2-propoxycyclohexa-1,3-diene Traditional Name: 1-benzoxy-3-(methylthio)-2-propoxy-cyclohexa-1,3-diene Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(CCC=C1SC)OCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(CCC=C1SC)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22O2S/c1-3-12-18-17-15(10-7-11-16(17)20-2)19-13-14-8-5-4-6-9-14/h4-6,8-9,11H,3,7,10,12-13H2,1-2H3