(E)-2-(7-azanyl-7-oxidanylidene-heptyl)-5-(hydroxymethyl)-5-oxidanyl-pentacos-2-enoic acid

Systemtic Name: (E)-2-(7-azanyl-7-oxidanylidene-heptyl)-5-(hydroxymethyl)-5-oxidanyl-pentacos-2-enoic acid Openeye Name: (E)-2-(7-amino-7-oxo-heptyl)-5-hydroxy-5-(hydroxymethyl)pentacos-2-enoic acid CAS Name: (E)-2-(7-amino-7-oxoheptyl)-5-hydroxy-5-(hydroxymethyl)-2-pentacosenoic acid IUPAC Name: (E)-2-(7-amino-7-oxoheptyl)-5-hydroxy-5-(hydroxymethyl)pentacos-2-enoic acid Traditional Name: (E)-2-(7-amino-7-keto-heptyl)-5-hydroxy-5-methylol-pentacos-2-enoic acid Formula: C33H63NO5 MolecularWeight: 553.85702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CC=C(CCCCCCC(=O)N)C(=O)O)(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C/C=C(\CCCCCCC(=O)N)/C(=O)O)(CO)O

InChI

InChI=1S/C33H63NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-33(39,29-35)28-26-30(32(37)38)24-21-18-19-22-25-31(34)36/h26,35,39H,2-25,27-29H2,1H3,(H2,34,36)(H,37,38)/b30-26+