(E)-3-[6-(1-adamantyl)-7-oxidanyl-phenanthren-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-(1-adamantyl)-7-oxidanyl-phenanthren-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(1-adamantyl)-7-hydroxy-2-phenanthryl]prop-2-enoic acid CAS Name: (E)-3-[6-(1-adamantyl)-7-hydroxy-2-phenanthrenyl]-2-propenoic acid IUPAC Name: (E)-3-[6-(1-adamantyl)-7-hydroxyphenanthren-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-(1-adamantyl)-7-hydroxy-2-phenanthryl]acrylic acid Formula: C27H26O3 MolecularWeight: 398.49354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC6=C(C5=C4)C=CC(=C6)C=CC(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC6=C(C5=C4)C=CC(=C6)/C=C/C(=O)O)O

InChI

InChI=1S/C27H26O3/c28-25-11-21-4-3-20-10-16(2-6-26(29)30)1-5-22(20)23(21)12-24(25)27-13-17-7-18(14-27)9-19(8-17)15-27/h1-6,10-12,17-19,28H,7-9,13-15H2,(H,29,30)/b6-2+