(2E,4E)-5-[7-(1-adamantyl)-6-methoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-[7-(1-adamantyl)-6-methoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[7-(1-adamantyl)-6-methoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[7-(1-adamantyl)-6-methoxy-2-naphthalenyl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[7-(1-adamantyl)-6-methoxynaphthalen-2-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[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(=CC(=O)O)C=CC1=CC2=CC(=C(C=C2C=C1)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30O3/c1-17(7-26(28)29)3-4-18-5-6-22-13-25(30-2)24(12-23(22)11-18)27-14-19-8-20(15-27)10-21(9-19)16-27/h3-7,11-13,19-21H,8-10,14-16H2,1-2H3,(H,28,29)/b4-3+,17-7+