2-[[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid

Systemtic Name: 2-[[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid Openeye Name: 2-[[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid CAS Name: 2-[[(2E,4E,6E,8E,10E,12E)-1-oxodocosa-2,4,6,8,10,12-hexaenyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid IUPAC Name: 2-[[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid Traditional Name: 2-[[(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoyl]amino]-3-(4-phosphonooxyphenyl)propionic acid Formula: C31H42NO7P MolecularWeight: 571.641441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C31H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)32-29(31(34)35)26-27-22-24-28(25-23-27)39-40(36,37)38/h10-25,29H,2-9,26H2,1H3,(H,32,33)(H,34,35)(H2,36,37,38)/b11-10+,13-12+,15-14+,17-16+,19-18+,21-20+