1-[(3S,4S)-4-oxidanyl-3-phenylsulfanyl-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(3S,4S)-4-oxidanyl-3-phenylsulfanyl-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid Openeye Name: 1-[(3S,4S)-4-hydroxy-3-phenylsulfanyl-chroman-7-yl]cyclopentanecarboxylic acid CAS Name: 1-[(3S,4S)-4-hydroxy-3-(phenylthio)-3,4-dihydro-2H-1-benzopyran-7-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(3S,4S)-4-hydroxy-3-phenylsulfanyl-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid Traditional Name: 1-[(3S,4S)-4-hydroxy-3-(phenylthio)chroman-7-yl]cyclopentanecarboxylic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)SC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)SC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C21H22O4S/c22-19-16-9-8-14(21(20(23)24)10-4-5-11-21)12-17(16)25-13-18(19)26-15-6-2-1-3-7-15/h1-3,6-9,12,18-19,22H,4-5,10-11,13H2,(H,23,24)/t18-,19-/m0/s1