(E)-octadec-9-enoic acid; 3-phenylazanylpropan-1-ol

Systemtic Name: (E)-octadec-9-enoic acid; 3-phenylazanylpropan-1-ol Openeye Name: 3-anilinopropan-1-ol; (E)-octadec-9-enoic acid CAS Name: 3-anilino-1-propanol; (E)-9-octadecenoic acid IUPAC Name: 3-anilinopropan-1-ol; (E)-octadec-9-enoic acid Traditional Name: 3-anilinopropan-1-ol; elaidic acid Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.C1=CC=C(C=C1)NCCCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.C1=CC=C(C=C1)NCCCO

InChI

InChI=1S/C18H34O2.C9H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-8-4-7-10-9-5-2-1-3-6-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-3,5-6,10-11H,4,7-8H2/b10-9+;