3-(cyclohexen-1-yl)-1-methoxy-4-(4-nitrophenyl)sulfanyl-1H-isochromene

Systemtic Name: 3-(cyclohexen-1-yl)-1-methoxy-4-(4-nitrophenyl)sulfanyl-1H-isochromene Openeye Name: 3-(cyclohexen-1-yl)-1-methoxy-4-(4-nitrophenyl)sulfanyl-1H-isochromene CAS Name: 3-(1-cyclohexenyl)-1-methoxy-4-[(4-nitrophenyl)thio]-1H-2-benzopyran IUPAC Name: 3-(cyclohexen-1-yl)-1-methoxy-4-(4-nitrophenyl)sulfanyl-1H-isochromene Traditional Name: 3-(cyclohexen-1-yl)-1-methoxy-4-[(4-nitrophenyl)thio]-1H-isochromene Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=CC=C2C(=C(O1)C3=CCCCC3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1C2=CC=CC=C2C(=C(O1)C3=CCCCC3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO4S/c1-26-22-19-10-6-5-9-18(19)21(20(27-22)15-7-3-2-4-8-15)28-17-13-11-16(12-14-17)23(24)25/h5-7,9-14,22H,2-4,8H2,1H3