3-(4-nitrophenyl)sulfanyl-4-oxidanylidene-4a,8a-dihydrochromen-2-olate; triethylazanium

Systemtic Name: 3-(4-nitrophenyl)sulfanyl-4-oxidanylidene-4a,8a-dihydrochromen-2-olate; triethylazanium Openeye Name: 3-(4-nitrophenyl)sulfanyl-4-oxo-4a,8a-dihydrochromen-2-olate; triethylammonium CAS Name: 3-[(4-nitrophenyl)thio]-4-oxo-4a,8a-dihydro-1-benzopyran-2-olate; triethylammonium IUPAC Name: 3-(4-nitrophenyl)sulfanyl-4-oxo-4a,8a-dihydrochromen-2-olate; triethylazanium Traditional Name: 4-keto-3-[(4-nitrophenyl)thio]-4a,8a-dihydrochromen-2-olate; triethylammonium Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO5S.C6H15N/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;1-4-7(5-2)6-3/h1-8,11-12,18H;4-6H2,1-3H3