[(E)-6-azanyl-5-methyl-1,2-bis(oxidanyl)-6-oxidanylidene-hex-4-en-3-yl] triacontanoate

Systemtic Name: [(E)-6-azanyl-5-methyl-1,2-bis(oxidanyl)-6-oxidanylidene-hex-4-en-3-yl] triacontanoate Openeye Name: [(E)-4-amino-1-(1,2-dihydroxyethyl)-3-methyl-4-oxo-but-2-enyl] triacontanoate CAS Name: triacontanoic acid [(E)-6-amino-1,2-dihydroxy-5-methyl-6-oxohex-4-en-3-yl] ester IUPAC Name: [(E)-6-amino-1,2-dihydroxy-5-methyl-6-oxohex-4-en-3-yl] triacontanoate Traditional Name: melissic acid [(E)-4-amino-1-(1,2-dihydroxyethyl)-4-keto-3-methyl-but-2-enyl] ester Formula: C37H71NO5 MolecularWeight: 609.96334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C=C(C)C(=O)N)C(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(/C=C(\C)/C(=O)N)C(CO)O

InChI

InChI=1S/C37H71NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(41)43-35(34(40)32-39)31-33(2)37(38)42/h31,34-35,39-40H,3-30,32H2,1-2H3,(H2,38,42)/b33-31+