6-[3-(1-adamantyl)-5-bromanyl-4-methoxy-phenyl]-5-bromanyl-naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-5-bromanyl-4-methoxy-phenyl]-5-bromanyl-naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-5-bromo-4-methoxy-phenyl]-5-bromo-naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-5-bromo-4-methoxyphenyl]-5-bromo-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-5-bromo-4-methoxyphenyl]-5-bromonaphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-5-bromo-4-methoxy-phenyl]-5-bromo-2-naphthoic acid Formula: C28H26Br2O3 MolecularWeight: 570.31224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C2=C(C3=C(C=C2)C=C(C=C3)C(=O)O)Br)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1Br)C2=C(C3=C(C=C2)C=C(C=C3)C(=O)O)Br)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H26Br2O3/c1-33-26-23(28-12-15-6-16(13-28)8-17(7-15)14-28)10-20(11-24(26)29)22-4-2-18-9-19(27(31)32)3-5-21(18)25(22)30/h2-5,9-11,15-17H,6-8,12-14H2,1H3,(H,31,32)