3-phenylsulfanylspiro[4.7]dodec-2-ene-4,12-dione

Systemtic Name: 3-phenylsulfanylspiro[4.7]dodec-2-ene-4,12-dione Openeye Name: 3-phenylsulfanylspiro[4.7]dodec-2-ene-4,12-dione CAS Name: 3-(phenylthio)spiro[4.7]dodec-2-ene-4,12-dione IUPAC Name: 3-phenylsulfanylspiro[4.7]dodec-2-ene-4,12-dione Traditional Name: 3-(phenylthio)spiro[4.7]dodec-2-ene-4,12-quinone Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC=C(C2=O)SC3=CC=CC=C3)C(=O)CC1

Isomeric SMILES

C1CCCC2(CC=C(C2=O)SC3=CC=CC=C3)C(=O)CC1

InChI

InChI=1S/C18H20O2S/c19-16-10-6-1-2-7-12-18(16)13-11-15(17(18)20)21-14-8-4-3-5-9-14/h3-5,8-9,11H,1-2,6-7,10,12-13H2