(4aR,8aS)-3-(4-nitrophenyl)sulfanyl-4a,8a-dihydrochromene-2,4-dione

Systemtic Name: (4aR,8aS)-3-(4-nitrophenyl)sulfanyl-4a,8a-dihydrochromene-2,4-dione Openeye Name: (4aR,8aS)-3-(4-nitrophenyl)sulfanyl-4a,8a-dihydrochromene-2,4-dione CAS Name: (4aR,8aS)-3-[(4-nitrophenyl)thio]-4a,8a-dihydro-1-benzopyran-2,4-dione IUPAC Name: (4aR,8aS)-3-(4-nitrophenyl)sulfanyl-4a,8a-dihydrochromene-2,4-dione Traditional Name: (4aR,8aS)-3-[(4-nitrophenyl)thio]-4a,8a-dihydrochromene-2,4-quinone Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)OC(=O)C(C2=O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=C[C@@H]2[C@H](C=C1)OC(=O)C(C2=O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO5S/c17-13-11-3-1-2-4-12(11)21-15(18)14(13)22-10-7-5-9(6-8-10)16(19)20/h1-8,11-12,14H/t11-,12+,14?/m1/s1