4-[(3-azanyl-4,4-dimethyl-6-oxidanyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(3-azanyl-4,4-dimethyl-6-oxidanyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]butanoic acid Openeye Name: 4-(3-amino-6-hydroxy-4,4-dimethyl-tetralin-2-yl)sulfanylbutanoic acid CAS Name: 4-[(3-amino-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)thio]butanoic acid IUPAC Name: 4-[(3-amino-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]butanoic acid Traditional Name: 4-[(3-amino-6-hydroxy-4,4-dimethyl-tetralin-2-yl)thio]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC2=C1C=C(C=C2)O)SCCCC(=O)O)N)C

Isomeric SMILES

CC1(C(C(CC2=C1C=C(C=C2)O)SCCCC(=O)O)N)C

InChI

InChI=1S/C16H23NO3S/c1-16(2)12-9-11(18)6-5-10(12)8-13(15(16)17)21-7-3-4-14(19)20/h5-6,9,13,15,18H,3-4,7-8,17H2,1-2H3,(H,19,20)