(Z)-octadec-9-enoic acid; 3-phenylazanylpropane-1,2-diol

Systemtic Name: (Z)-octadec-9-enoic acid; 3-phenylazanylpropane-1,2-diol Openeye Name: 3-anilinopropane-1,2-diol; (Z)-octadec-9-enoic acid CAS Name: 3-anilinopropane-1,2-diol; (Z)-9-octadecenoic acid IUPAC Name: 3-anilinopropane-1,2-diol; (Z)-octadec-9-enoic acid Traditional Name: 3-anilinopropane-1,2-diol; oleic acid Formula: C27H47NO4 MolecularWeight: 449.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.C1=CC=C(C=C1)NCC(CO)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.C1=CC=C(C=C1)NCC(CO)O

InChI

InChI=1S/C18H34O2.C9H13NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-7-9(12)6-10-8-4-2-1-3-5-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5,9-12H,6-7H2/b10-9-;