2-(16-azanyl-15-oxidanylidene-hexadecyl)-3-ethyl-1-[(4E,8E)-1-oxidanyl-1-oxidanylidene-heptadeca-4,8-dien-2-yl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(16-azanyl-15-oxidanylidene-hexadecyl)-3-ethyl-1-[(4E,8E)-1-oxidanyl-1-oxidanylidene-heptadeca-4,8-dien-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 2-(16-amino-15-oxo-hexadecyl)-1-[(3E,7E)-1-carboxyhexadeca-3,7-dienyl]-3-ethyl-cyclobutanecarboxylic acid CAS Name: 2-(16-amino-15-oxohexadecyl)-3-ethyl-1-[(4E,8E)-1-hydroxy-1-oxoheptadeca-4,8-dien-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(16-amino-15-oxohexadecyl)-3-ethyl-1-[(4E,8E)-1-hydroxy-1-oxoheptadeca-4,8-dien-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 2-(16-amino-15-keto-hexadecyl)-1-[(3E,7E)-1-carboxyhexadeca-3,7-dienyl]-3-ethyl-cyclobutanecarboxylic acid Formula: C40H71NO5 MolecularWeight: 645.99544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCC=CCC(C(=O)O)C1(CC(C1CCCCCCCCCCCCCCC(=O)CN)CC)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CC/C=C/CC(C(=O)O)C1(CC(C1CCCCCCCCCCCCCCC(=O)CN)CC)C(=O)O

InChI

InChI=1S/C40H71NO5/c1-3-5-6-7-8-9-10-11-16-19-22-25-28-31-37(38(43)44)40(39(45)46)32-34(4-2)36(40)30-27-24-21-18-15-13-12-14-17-20-23-26-29-35(42)33-41/h11,16,25,28,34,36-37H,3-10,12-15,17-24,26-27,29-33,41H2,1-2H3,(H,43,44)(H,45,46)/b16-11+,28-25+