2-methoxycarbonyl-3-(1-quinolin-8-ylsulfonylnaphthalen-2-yl)sulfonyl-benzenesulfinic acid

Systemtic Name: 2-methoxycarbonyl-3-(1-quinolin-8-ylsulfonylnaphthalen-2-yl)sulfonyl-benzenesulfinic acid Openeye Name: 2-methoxycarbonyl-3-[[1-(8-quinolylsulfonyl)-2-naphthyl]sulfonyl]benzenesulfinic acid CAS Name: 2-methoxycarbonyl-3-[[1-(8-quinolinylsulfonyl)-2-naphthalenyl]sulfonyl]benzenesulfinic acid IUPAC Name: 2-methoxycarbonyl-3-(1-quinolin-8-ylsulfonylnaphthalen-2-yl)sulfonylbenzenesulfinic acid Traditional Name: 2-carbomethoxy-3-[[1-(8-quinolylsulfonyl)-2-naphthyl]sulfonyl]benzenesulfinic acid Formula: C27H19NO8S3 MolecularWeight: 581.63666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1S(=O)(=O)C2=C(C3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)S(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1S(=O)(=O)C2=C(C3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)S(=O)O

InChI

InChI=1S/C27H19NO8S3/c1-36-27(29)24-20(37(30)31)11-5-12-21(24)38(32,33)23-15-14-17-7-2-3-10-19(17)26(23)39(34,35)22-13-4-8-18-9-6-16-28-25(18)22/h2-16H,1H3,(H,30,31)