(E)-4-oxidanyltriacont-21-en-7-one hydrate

Systemtic Name: (E)-4-oxidanyltriacont-21-en-7-one hydrate Openeye Name: (E)-4-hydroxytriacont-21-en-7-one hydrate CAS Name: (E)-4-hydroxy-21-triaconten-7-one hydrate IUPAC Name: (E)-4-hydroxytriacont-21-en-7-one hydrate Traditional Name: (E)-4-hydroxytriacont-21-en-7-one hydrate Formula: C30H60O3 MolecularWeight: 468.7956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCCC(=O)CCC(CCC)O.O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)CCC(CCC)O.O

InChI

InChI=1S/C30H58O2.H2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-30(32)28-27-29(31)25-4-2;/h11-12,29,31H,3-10,13-28H2,1-2H3;1H2/b12-11+;