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4-[(E)-3-[4-(phenylmethylidene)-2-adamantyl]prop-1-enyl]benzoic acid

4-[(E)-3-[4-(phenylmethylidene)-2-adamantyl]prop-1-enyl]benzoic acid

Systemtic Name:4-[(E)-3-[4-(phenylmethylidene)-2-adamantyl]prop-1-enyl]benzoic acid
Openeye Name:4-[(E)-3-(4-benzylidene-2-adamantyl)prop-1-enyl]benzoic acid
CAS Name:4-[(E)-3-[4-(phenylmethylene)-2-adamantyl]prop-1-enyl]benzoic acid
IUPAC Name:4-[(E)-3-(4-benzylidene-2-adamantyl)prop-1-enyl]benzoic acid
Traditional Name:4-[(E)-3-(4-benzal-2-adamantyl)prop-1-enyl]benzoic acid
Formula: C27H28O2
MolecularWeight: 384.51002
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1C(C(C2)C3=CC4=CC=CC=C4)CC=CC5=CC=C(C=C5)C(=O)O


Isomeric SMILES

C1C2CC3CC1C(C(C2)C3=CC4=CC=CC=C4)C/C=C/C5=CC=C(C=C5)C(=O)O


InChI

InChI=1S/C27H28O2/c28-27(29)21-11-9-18(10-12-21)7-4-8-24-22-13-20-14-23(17-22)25(26(24)16-20)15-19-5-2-1-3-6-19/h1-7,9-12,15,20,22-24,26H,8,13-14,16-17H2,(H,28,29)/b7-4+,25-15?


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