1,3-bis(chloranyl)-2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-5-nitro-benzene

Systemtic Name: 1,3-bis(chloranyl)-2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-5-nitro-benzene Openeye Name: 1,3-dichloro-2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-5-nitro-benzene CAS Name: 1,3-dichloro-2-[3-(cyclopropylmethylsulfonyl)-4-methoxyphenoxy]-5-nitrobenzene IUPAC Name: 1,3-dichloro-2-[3-(cyclopropylmethylsulfonyl)-4-methoxyphenoxy]-5-nitrobenzene Traditional Name: 1,3-dichloro-2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-5-nitro-benzene Formula: C17H15Cl2NO6S MolecularWeight: 432.2751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)S(=O)(=O)CC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)S(=O)(=O)CC3CC3

InChI

InChI=1S/C17H15Cl2NO6S/c1-25-15-5-4-12(8-16(15)27(23,24)9-10-2-3-10)26-17-13(18)6-11(20(21)22)7-14(17)19/h4-8,10H,2-3,9H2,1H3