methyl 4-[6-[2-(4-dodecoxyphenyl)ethynyl]-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[6-[2-(4-dodecoxyphenyl)ethynyl]-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[6-[2-(4-dodecoxyphenyl)ethynyl]-2-hydroxy-1-naphthyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[6-[2-(4-dodecoxyphenyl)ethynyl]-2-hydroxy-1-naphthalenyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[6-[2-(4-dodecoxyphenyl)ethynyl]-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[2-hydroxy-6-[2-(4-lauryloxyphenyl)ethynyl]-1-naphthyl]naphthalene-2-carboxylic acid methyl ester Formula: C42H44O5 MolecularWeight: 628.79576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=C(C=C3)O)C4=C(C(=CC5=CC=CC=C54)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=C(C=C3)O)C4=C(C(=CC5=CC=CC=C54)C(=O)OC)O

InChI

InChI=1S/C42H44O5/c1-3-4-5-6-7-8-9-10-11-14-27-47-34-23-19-30(20-24-34)17-18-31-21-25-36-33(28-31)22-26-38(43)39(36)40-35-16-13-12-15-32(35)29-37(41(40)44)42(45)46-2/h12-13,15-16,19-26,28-29,43-44H,3-11,14,27H2,1-2H3