(2E)-2-[7-(1-adamantyl)-6-methoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E)-2-[7-(1-adamantyl)-6-methoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E)-2-[7-(1-adamantyl)-6-methoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2E)-2-[7-(1-adamantyl)-6-methoxy-2-naphthalenyl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E)-2-[7-(1-adamantyl)-6-methoxynaphthalen-2-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2E)-2-[7-(1-adamantyl)-6-methoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC2=CC(=C(C=C2C=C1)OC)C34CC5CC(C3)CC(C5)C4)C(=O)O)C=C

Isomeric SMILES

C/C(=C(/C1=CC2=CC(=C(C=C2C=C1)OC)C34CC5CC(C3)CC(C5)C4)\C(=O)O)/C=C

InChI

InChI=1S/C27H30O3/c1-4-16(2)25(26(28)29)21-6-5-20-12-24(30-3)23(11-22(20)10-21)27-13-17-7-18(14-27)9-19(8-17)15-27/h4-6,10-12,17-19H,1,7-9,13-15H2,2-3H3,(H,28,29)/b25-16+