ethyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzoate

Systemtic Name: ethyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzoate Openeye Name: ethyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzoate CAS Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoate Traditional Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzoic acid ethyl ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S2/c1-2-23-17(20)13-5-8-16(15(11-13)19(21)22)24-14-6-3-12(4-7-14)18-25-9-10-26-18/h3-8,11,18H,2,9-10H2,1H3