3-[[3-[(4-nonylphenyl)-(6-oxidanylideneoxan-2-yl)methyl]sulfanylphenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-[(4-nonylphenyl)-(6-oxidanylideneoxan-2-yl)methyl]sulfanylphenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(4-nonylphenyl)-(6-oxotetrahydropyran-2-yl)methyl]sulfanylanilino]-3-oxo-propanoic acid CAS Name: 3-[3-[[(4-nonylphenyl)-(6-oxo-2-oxanyl)methyl]thio]anilino]-3-oxopropanoic acid IUPAC Name: 3-[3-[(4-nonylphenyl)-(6-oxooxan-2-yl)methyl]sulfanylanilino]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[[(6-ketotetrahydropyran-2-yl)-(4-nonylphenyl)methyl]thio]anilino]propionic acid Formula: C30H39NO5S MolecularWeight: 525.69936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C2CCCC(=O)O2)SC3=CC=CC(=C3)NC(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C2CCCC(=O)O2)SC3=CC=CC(=C3)NC(=O)CC(=O)O

InChI

InChI=1S/C30H39NO5S/c1-2-3-4-5-6-7-8-11-22-16-18-23(19-17-22)30(26-14-10-15-29(35)36-26)37-25-13-9-12-24(20-25)31-27(32)21-28(33)34/h9,12-13,16-20,26,30H,2-8,10-11,14-15,21H2,1H3,(H,31,32)(H,33,34)