4-[3-[8,8-dimethyl-5-(4-phenylmethoxyphenyl)-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[3-[8,8-dimethyl-5-(4-phenylmethoxyphenyl)-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]-3-oxidanyl-benzoic acid Openeye Name: 4-[3-[5-(4-benzyloxyphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]-3-hydroxy-benzoic acid CAS Name: 4-[3-[8,8-dimethyl-5-(4-phenylmethoxyphenyl)-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]-3-hydroxybenzoic acid IUPAC Name: 4-[3-[8,8-dimethyl-5-(4-phenylmethoxyphenyl)-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]-3-hydroxybenzoic acid Traditional Name: 4-[3-[5-(4-benzoxyphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]-3-hydroxy-benzoic acid Formula: C35H30O5 MolecularWeight: 530.6097

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C(C#CC3=C(C=C(C=C3)C(=O)O)O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C(C#CC3=C(C=C(C=C3)C(=O)O)O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C35H30O5/c1-35(2)19-18-29(24-10-14-28(15-11-24)40-22-23-6-4-3-5-7-23)30-16-12-26(20-31(30)35)32(36)17-13-25-8-9-27(34(38)39)21-33(25)37/h3-12,14-16,18,20-21,32,36-37H,19,22H2,1-2H3,(H,38,39)