3-methoxy-8-phenylsulfanyl-7-propan-2-ylidene-bicyclo[4.2.0]oct-3-ene-2,5-dione

Systemtic Name: 3-methoxy-8-phenylsulfanyl-7-propan-2-ylidene-bicyclo[4.2.0]oct-3-ene-2,5-dione Openeye Name: 7-isopropylidene-3-methoxy-8-phenylsulfanyl-bicyclo[4.2.0]oct-3-ene-2,5-dione CAS Name: 3-methoxy-8-(phenylthio)-7-propan-2-ylidenebicyclo[4.2.0]oct-3-ene-2,5-dione IUPAC Name: 3-methoxy-8-phenylsulfanyl-7-propan-2-ylidenebicyclo[4.2.0]oct-3-ene-2,5-dione Traditional Name: 7-isopropylidene-3-methoxy-8-(phenylthio)bicyclo[4.2.0]oct-3-ene-2,5-quinone Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2C(C1SC3=CC=CC=C3)C(=O)C(=CC2=O)OC)C

Isomeric SMILES

CC(=C1C2C(C1SC3=CC=CC=C3)C(=O)C(=CC2=O)OC)C

InChI

InChI=1S/C18H18O3S/c1-10(2)14-15-12(19)9-13(21-3)17(20)16(15)18(14)22-11-7-5-4-6-8-11/h4-9,15-16,18H,1-3H3