5-[4-carboxy-2-[5-(3-undecylthiiran-2-yl)pentanoylamino]phenoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[4-carboxy-2-[5-(3-undecylthiiran-2-yl)pentanoylamino]phenoxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[4-carboxy-2-[5-(3-undecylthiiran-2-yl)pentanoylamino]phenoxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[4-carboxy-2-[[1-oxo-5-(3-undecyl-2-thiiranyl)pentyl]amino]phenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[4-carboxy-2-[5-(3-undecylthiiran-2-yl)pentanoylamino]phenoxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[4-carboxy-2-[5-(3-undecylthiiran-2-yl)pentanoylamino]phenoxy]isophthalic acid Formula: C33H43NO8S MolecularWeight: 613.76142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(S1)CCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC1C(S1)CCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C33H43NO8S/c1-2-3-4-5-6-7-8-9-10-13-28-29(43-28)14-11-12-15-30(35)34-26-21-22(31(36)37)16-17-27(26)42-25-19-23(32(38)39)18-24(20-25)33(40)41/h16-21,28-29H,2-15H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)