4-oxidanylidene-1H-1,8-naphthyridin-2-olate; [1-phenyl-4-(3,4,5-trimethoxyphenoxy)pentan-2-yl]sulfanium

Systemtic Name: 4-oxidanylidene-1H-1,8-naphthyridin-2-olate; [1-phenyl-4-(3,4,5-trimethoxyphenoxy)pentan-2-yl]sulfanium Openeye Name: [1-benzyl-3-(3,4,5-trimethoxyphenoxy)butyl]sulfonium; 4-oxo-1H-1,8-naphthyridin-2-olate CAS Name: 4-oxo-1H-1,8-naphthyridin-2-olate; [1-phenyl-4-(3,4,5-trimethoxyphenoxy)pentan-2-yl]sulfonium IUPAC Name: 4-oxo-1H-1,8-naphthyridin-2-olate; [1-phenyl-4-(3,4,5-trimethoxyphenoxy)pentan-2-yl]sulfanium Traditional Name: [1-benzyl-3-(3,4,5-trimethoxyphenoxy)butyl]sulfonium; 4-keto-1H-1,8-naphthyridin-2-olate Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1=CC=CC=C1)[SH2+])OC2=CC(=C(C(=C2)OC)OC)OC.C1=CC2=C(NC(=CC2=O)[O-])N=C1

Isomeric SMILES

CC(CC(CC1=CC=CC=C1)[SH2+])OC2=CC(=C(C(=C2)OC)OC)OC.C1=CC2=C(NC(=CC2=O)[O-])N=C1

InChI

InChI=1S/C20H26O4S.C8H6N2O2/c1-14(10-17(25)11-15-8-6-5-7-9-15)24-16-12-18(21-2)20(23-4)19(13-16)22-3;11-6-4-7(12)10-8-5(6)2-1-3-9-8/h5-9,12-14,17,25H,10-11H2,1-4H3;1-4H,(H2,9,10,11,12)