2-(6-naphthalen-1-ylhexylsulfanylmethyl)-2-oxidanyl-butanedioic acid

Systemtic Name: 2-(6-naphthalen-1-ylhexylsulfanylmethyl)-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[6-(1-naphthyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(1-naphthalenyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-(6-naphthalen-1-ylhexylsulfanylmethyl)butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(1-naphthyl)hexylthio]methyl]succinic acid Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-13-6-2-1-3-8-16-10-7-11-17-9-4-5-12-18(16)17/h4-5,7,9-12,26H,1-3,6,8,13-15H2,(H,22,23)(H,24,25)