6-nitro-3,4-bis(phenylsulfanyl)chromen-2-one

Systemtic Name: 6-nitro-3,4-bis(phenylsulfanyl)chromen-2-one Openeye Name: 6-nitro-3,4-bis(phenylsulfanyl)chromen-2-one CAS Name: 6-nitro-3,4-bis(phenylthio)-1-benzopyran-2-one IUPAC Name: 6-nitro-3,4-bis(phenylsulfanyl)chromen-2-one Traditional Name: 6-nitro-3,4-bis(phenylthio)coumarin Formula: C21H13NO4S2 MolecularWeight: 407.46222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C21H13NO4S2/c23-21-20(28-16-9-5-2-6-10-16)19(27-15-7-3-1-4-8-15)17-13-14(22(24)25)11-12-18(17)26-21/h1-13H