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

Systemtic Name: (2Z)-2-[7-(1-adamantyl)-6-propoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2Z)-2-[7-(1-adamantyl)-6-propoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2Z)-2-[7-(1-adamantyl)-6-propoxy-2-naphthalenyl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2Z)-2-[7-(1-adamantyl)-6-propoxynaphthalen-2-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2Z)-2-[7-(1-adamantyl)-6-propoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid Formula: C29H34O3 MolecularWeight: 430.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C=C(C=CC2=C1)C(=C(C)C=C)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=C(C=C2C=C(C=CC2=C1)/C(=C(\C)/C=C)/C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34O3/c1-4-8-32-26-14-22-6-7-23(27(28(30)31)18(3)5-2)12-24(22)13-25(26)29-15-19-9-20(16-29)11-21(10-19)17-29/h5-7,12-14,19-21H,2,4,8-11,15-17H2,1,3H3,(H,30,31)/b27-18-