4-diethoxyphosphinothioyloxy-2-[[ethoxy(oxidanyl)phosphinothioyl]sulfanylmethyl]-2-propan-2-yl-phthalazin-2-ium-1-one

Systemtic Name: 4-diethoxyphosphinothioyloxy-2-[[ethoxy(oxidanyl)phosphinothioyl]sulfanylmethyl]-2-propan-2-yl-phthalazin-2-ium-1-one Openeye Name: 4-diethoxyphosphinothioyloxy-2-[[ethoxy(hydroxy)phosphinothioyl]sulfanylmethyl]-2-isopropyl-phthalazin-2-ium-1-one CAS Name: 4-diethoxyphosphinothioyloxy-2-[[[ethoxy(hydroxy)phosphinothioyl]thio]methyl]-2-propan-2-yl-1-phthalazin-2-iumone IUPAC Name: 4-diethoxyphosphinothioyloxy-2-[[ethoxy(hydroxy)phosphinothioyl]sulfanylmethyl]-2-propan-2-ylphthalazin-2-ium-1-one Traditional Name: 4-diethoxythiophosphoryloxy-2-[[[ethoxy(hydroxy)thiophosphoryl]thio]methyl]-2-isopropyl-phthalazin-2-ium-1-one Formula: C18H29N2O6P2S3+ MolecularWeight: 527.575182

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(O)SC[N+]1(C(=O)C2=CC=CC=C2C(=N1)OP(=S)(OCC)OCC)C(C)C

Isomeric SMILES

CCOP(=S)(O)SC[N+]1(C(=O)C2=CC=CC=C2C(=N1)OP(=S)(OCC)OCC)C(C)C

InChI

InChI=1S/C18H28N2O6P2S3/c1-6-23-27(22,29)31-13-20(14(4)5)18(21)16-12-10-9-11-15(16)17(19-20)26-28(30,24-7-2)25-8-3/h9-12,14H,6-8,13H2,1-5H3/p+1