2-ethylaniline; (E)-octadec-9-enoate; sulfate

Systemtic Name: 2-ethylaniline; (E)-octadec-9-enoate; sulfate Openeye Name: 2-ethylaniline; (E)-octadec-9-enoate; sulfate CAS Name: 2-ethylaniline; (E)-9-octadecenoate; sulfate IUPAC Name: 2-ethylaniline; (E)-octadec-9-enoate; sulfate Traditional Name: (2-ethylphenyl)amine; (E)-octadec-9-enoate; sulfate Formula: C26H44NO6S-3 MolecularWeight: 498.69566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCC1=CC=CC=C1N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCC1=CC=CC=C1N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H34O2.C8H11N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-7-5-3-4-6-8(7)9;1-5(2,3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-6H,2,9H2,1H3;(H2,1,2,3,4)/p-3/b10-9+;;