5-diazo-2-phenylsulfanyl-3,6-dipropoxy-cyclohexa-1,3-diene

Systemtic Name: 5-diazo-2-phenylsulfanyl-3,6-dipropoxy-cyclohexa-1,3-diene Openeye Name: 5-diazo-2-phenylsulfanyl-3,6-dipropoxy-cyclohexa-1,3-diene CAS Name: 5-diazo-2-(phenylthio)-3,6-dipropoxycyclohexa-1,3-diene IUPAC Name: 5-diazo-2-phenylsulfanyl-3,6-dipropoxycyclohexa-1,3-diene Traditional Name: 5-diazo-2-(phenylthio)-3,6-dipropoxy-cyclohexa-1,3-diene Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(C(=CC1=[N+]=[N-])OCCC)SC2=CC=CC=C2

Isomeric SMILES

CCCOC1C=C(C(=CC1=[N+]=[N-])OCCC)SC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S/c1-3-10-21-16-13-18(23-14-8-6-5-7-9-14)17(22-11-4-2)12-15(16)20-19/h5-9,12-13,16H,3-4,10-11H2,1-2H3