2-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]butanedioic acid

Systemtic Name: 2-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]butanedioic acid Openeye Name: 2-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]butanedioic acid CAS Name: 2-methoxy-2-[(2-methoxyphenyl)methylthio]-3-[2-(8-phenyloctyl)phenyl]butanedioic acid IUPAC Name: 2-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]butanedioic acid Traditional Name: 2-methoxy-2-(o-anisylthio)-3-[2-(8-phenyloctyl)phenyl]succinic acid Formula: C33H40O6S MolecularWeight: 564.7321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC(C(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(=O)O)(C(=O)O)OC

Isomeric SMILES

COC1=CC=CC=C1CSC(C(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(=O)O)(C(=O)O)OC

InChI

InChI=1S/C33H40O6S/c1-38-29-23-15-13-21-27(29)24-40-33(39-2,32(36)37)30(31(34)35)28-22-14-12-20-26(28)19-11-6-4-3-5-8-16-25-17-9-7-10-18-25/h7,9-10,12-15,17-18,20-23,30H,3-6,8,11,16,19,24H2,1-2H3,(H,34,35)(H,36,37)