2-[4-(4-methoxyphenyl)sulfanylbutyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfanylbutyl]-3-phosphono-butanedioic acid Openeye Name: 2-[4-(4-methoxyphenyl)sulfanylbutyl]-3-phosphono-butanedioic acid CAS Name: 2-[4-[(4-methoxyphenyl)thio]butyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[4-(4-methoxyphenyl)sulfanylbutyl]-3-phosphonobutanedioic acid Traditional Name: 2-[4-[(4-methoxyphenyl)thio]butyl]-3-phosphono-succinic acid Formula: C15H21O8PS MolecularWeight: 392.361201

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C15H21O8PS/c1-23-10-5-7-11(8-6-10)25-9-3-2-4-12(14(16)17)13(15(18)19)24(20,21)22/h5-8,12-13H,2-4,9H2,1H3,(H,16,17)(H,18,19)(H2,20,21,22)