(E)-3-(1-adamantyl)prop-2-enoic acid; (2Z)-2-propylideneoctanoate

Systemtic Name: (E)-3-(1-adamantyl)prop-2-enoic acid; (2Z)-2-propylideneoctanoate Openeye Name: (E)-3-(1-adamantyl)prop-2-enoic acid; (2Z)-2-propylideneoctanoate CAS Name: (E)-3-(1-adamantyl)-2-propenoic acid; (2Z)-2-propylideneoctanoate IUPAC Name: (E)-3-(1-adamantyl)prop-2-enoic acid; (2Z)-2-propylideneoctanoate Traditional Name: (E)-3-(1-adamantyl)acrylic acid; (Z)-2-hexylpent-2-enoate Formula: C24H37O4- MolecularWeight: 389.54818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CCC)C(=O)[O-].C1C2CC3CC1CC(C2)(C3)C=CC(=O)O

Isomeric SMILES

CCCCCC/C(=C/CC)/C(=O)[O-].C1C2CC3CC1CC(C2)(C3)/C=C/C(=O)O

InChI

InChI=1S/C13H18O2.C11H20O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13;1-3-5-6-7-9-10(8-4-2)11(12)13/h1-2,9-11H,3-8H2,(H,14,15);8H,3-7,9H2,1-2H3,(H,12,13)/p-1/b2-1+;10-8-