2-[6-(4-methoxyphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-(4-methoxyphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[6-(4-methoxyphenyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(4-methoxyphenyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-[6-(4-methoxyphenyl)hexylsulfanylmethyl]butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(4-methoxyphenyl)hexylthio]methyl]succinic acid Formula: C18H26O6S MolecularWeight: 370.46044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H26O6S/c1-24-15-9-7-14(8-10-15)6-4-2-3-5-11-25-13-18(23,17(21)22)12-16(19)20/h7-10,23H,2-6,11-13H2,1H3,(H,19,20)(H,21,22)