5-[4-carboxy-2-[[(Z)-octadec-6-enoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[4-carboxy-2-[[(Z)-octadec-6-enoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[4-carboxy-2-[[(Z)-octadec-6-enoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[4-carboxy-2-[[(Z)-1-oxooctadec-6-enyl]amino]phenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[4-carboxy-2-[[(Z)-octadec-6-enoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[4-carboxy-2-[[(Z)-octadec-6-enoyl]amino]phenoxy]isophthalic acid Formula: C33H43NO8 MolecularWeight: 581.69642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)OC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C\CCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)OC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C33H43NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(35)34-28-23-24(31(36)37)18-19-29(28)42-27-21-25(32(38)39)20-26(22-27)33(40)41/h12-13,18-23H,2-11,14-17H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)/b13-12-