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octadecanoate; (Z)-2-phenylbut-2-enedioate

octadecanoate; (Z)-2-phenylbut-2-enedioate

Systemtic Name:octadecanoate; (Z)-2-phenylbut-2-enedioate
Openeye Name:octadecanoate; (Z)-2-phenylbut-2-enedioate
CAS Name:octadecanoate; (Z)-2-phenyl-2-butenedioate
IUPAC Name:octadecanoate; (Z)-2-phenylbut-2-enedioate
Traditional Name:(Z)-2-phenylbut-2-enedioate; stearate
Formula: C28H41O6-3
MolecularWeight: 473.62154
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C(=CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C18H36O2.C10H8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h2-17H2,1H3,(H,19,20);1-6H,(H,11,12)(H,13,14)/p-3/b;8-6-


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