3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanyl-isochromen-1-one

Systemtic Name: 3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanyl-isochromen-1-one Openeye Name: 3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanyl-isochromen-1-one CAS Name: 3-(1-cyclohexenyl)-4-[(4-nitrophenyl)thio]-2-benzopyran-1-one IUPAC Name: 3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanylisochromen-1-one Traditional Name: 3-(cyclohexen-1-yl)-4-[(4-nitrophenyl)thio]isocoumarin Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=C(C3=CC=CC=C3C(=O)O2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)C2=C(C3=CC=CC=C3C(=O)O2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO4S/c23-21-18-9-5-4-8-17(18)20(19(26-21)14-6-2-1-3-7-14)27-16-12-10-15(11-13-16)22(24)25/h4-6,8-13H,1-3,7H2