(E)-2-butyloctadec-9-enoate; phthalate

Systemtic Name: (E)-2-butyloctadec-9-enoate; phthalate Openeye Name: (E)-2-butyloctadec-9-enoate; phthalate CAS Name: (E)-2-butyl-9-octadecenoate; phthalate IUPAC Name: (E)-2-butyloctadec-9-enoate; phthalate Traditional Name: (E)-2-butyloctadec-9-enoate; phthalate Formula: C30H45O6-3 MolecularWeight: 501.6747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCCC)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H42O2.C8H6O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-21(22(23)24)19-6-4-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h12-13,21H,3-11,14-20H2,1-2H3,(H,23,24);1-4H,(H,9,10)(H,11,12)/p-3/b13-12+;