4-[7-(1-adamantyl)-6-hexoxy-naphthalen-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-hexoxy-naphthalen-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-hexoxy-2-naphthyl]-2-hydroxy-benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-hexoxy-2-naphthalenyl]-2-hydroxybenzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-hexoxynaphthalen-2-yl]-2-hydroxybenzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-hexoxy-2-naphthyl]-2-hydroxy-benzoic acid Formula: C33H38O4 MolecularWeight: 498.65242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)C(=O)O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)C(=O)O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H38O4/c1-2-3-4-5-10-37-31-17-26-7-6-24(25-8-9-28(32(35)36)30(34)16-25)14-27(26)15-29(31)33-18-21-11-22(19-33)13-23(12-21)20-33/h6-9,14-17,21-23,34H,2-5,10-13,18-20H2,1H3,(H,35,36)