ethanoyl-[4-[(3-nitro-4-phenylsulfanyl-phenyl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethanoyl-[4-[(3-nitro-4-phenylsulfanyl-phenyl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[(3-nitro-4-phenylsulfanyl-benzoyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[[3-nitro-4-(phenylthio)phenyl]-oxomethoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[(3-nitro-4-phenylsulfanylbenzoyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[[3-nitro-4-(phenylthio)benzoyl]oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C25H23N2O7S+ MolecularWeight: 495.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7S/c1-15(28)26-18-8-9-20-17(12-24(29)34-22(20)13-18)14-33-25(30)16-7-10-23(21(11-16)27(31)32)35-19-5-3-2-4-6-19/h2-7,10-12,22,29H,8-9,13-14H2,1H3/p+1