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

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

Systemtic Name:4-[7-(1-adamantyl)-6-heptoxy-naphthalen-2-yl]benzoic acid
Openeye Name:4-[7-(1-adamantyl)-6-heptoxy-2-naphthyl]benzoic acid
CAS Name:4-[7-(1-adamantyl)-6-heptoxy-2-naphthalenyl]benzoic acid
IUPAC Name:4-[7-(1-adamantyl)-6-heptoxynaphthalen-2-yl]benzoic acid
Traditional Name:4-[7-(1-adamantyl)-6-heptoxy-2-naphthyl]benzoic acid
Formula: C34H40O3
MolecularWeight: 496.6796
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

CCCCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C34H40O3/c1-2-3-4-5-6-13-37-32-19-29-12-11-28(26-7-9-27(10-8-26)33(35)36)17-30(29)18-31(32)34-20-23-14-24(21-34)16-25(15-23)22-34/h7-12,17-19,23-25H,2-6,13-16,20-22H2,1H3,(H,35,36)


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