methylbenzene; (E)-octadec-9-enoate

Systemtic Name: methylbenzene; (E)-octadec-9-enoate Openeye Name: (E)-octadec-9-enoate; toluene CAS Name: (E)-9-octadecenoate; toluene IUPAC Name: (E)-octadec-9-enoate; toluene Traditional Name: (E)-octadec-9-enoate; toluene Formula: C25H41O2- MolecularWeight: 373.59184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CC1=CC=CC=C1

InChI

InChI=1S/C18H34O2.C7H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7-5-3-2-4-6-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-6H,1H3/p-1/b10-9+;