8-(3,7-dimethyloctoxy)-6-methyl-phenanthrene-3-carboxylic acid

Systemtic Name: 8-(3,7-dimethyloctoxy)-6-methyl-phenanthrene-3-carboxylic acid Openeye Name: 8-(3,7-dimethyloctoxy)-6-methyl-phenanthrene-3-carboxylic acid CAS Name: 8-(3,7-dimethyloctoxy)-6-methyl-3-phenanthrenecarboxylic acid IUPAC Name: 8-(3,7-dimethyloctoxy)-6-methylphenanthrene-3-carboxylic acid Traditional Name: 8-(3,7-dimethyloctoxy)-6-methyl-phenanthrene-3-carboxylic acid Formula: C26H32O3 MolecularWeight: 392.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC3=C(C2=C1)C=C(C=C3)C(=O)O)OCCC(C)CCCC(C)C

Isomeric SMILES

CC1=CC(=C2C=CC3=C(C2=C1)C=C(C=C3)C(=O)O)OCCC(C)CCCC(C)C

InChI

InChI=1S/C26H32O3/c1-17(2)6-5-7-18(3)12-13-29-25-15-19(4)14-24-22(25)11-10-20-8-9-21(26(27)28)16-23(20)24/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,27,28)