2-[2-hydroxyethylsulfanyl-(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 2-[2-hydroxyethylsulfanyl-(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 2-[2-hydroxyethylsulfanyl-(3,4,5-trimethoxyphenyl)methyl]tetralin-1-one CAS Name: 2-[(2-hydroxyethylthio)-(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 2-[2-hydroxyethylsulfanyl-(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 2-[(2-hydroxyethylthio)-(3,4,5-trimethoxyphenyl)methyl]tetralin-1-one Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2CCC3=CC=CC=C3C2=O)SCCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2CCC3=CC=CC=C3C2=O)SCCO

InChI

InChI=1S/C22H26O5S/c1-25-18-12-15(13-19(26-2)21(18)27-3)22(28-11-10-23)17-9-8-14-6-4-5-7-16(14)20(17)24/h4-7,12-13,17,22-23H,8-11H2,1-3H3