3,4-dihydro-2H-thiochromen-4-yl 4-nitrobenzoate

Systemtic Name: 3,4-dihydro-2H-thiochromen-4-yl 4-nitrobenzoate Openeye Name: thiochroman-4-yl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3,4-dihydro-2H-1-benzothiopyran-4-yl ester IUPAC Name: 3,4-dihydro-2H-thiochromen-4-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid thiochroman-4-yl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S/c18-16(11-5-7-12(8-6-11)17(19)20)21-14-9-10-22-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2