3-[(1S,2S)-2-methyl-2,7-bis(oxidanyl)-3,4-dihydro-1H-phenanthren-1-yl]propanoic acid

Systemtic Name: 3-[(1S,2S)-2-methyl-2,7-bis(oxidanyl)-3,4-dihydro-1H-phenanthren-1-yl]propanoic acid Openeye Name: 3-[(1S,2S)-2,7-dihydroxy-2-methyl-3,4-dihydro-1H-phenanthren-1-yl]propanoic acid CAS Name: 3-[(1S,2S)-2,7-dihydroxy-2-methyl-3,4-dihydro-1H-phenanthren-1-yl]propanoic acid IUPAC Name: 3-[(1S,2S)-2,7-dihydroxy-2-methyl-3,4-dihydro-1H-phenanthren-1-yl]propanoic acid Traditional Name: 3-[(1S,2S)-2,7-dihydroxy-2-methyl-3,4-dihydro-1H-phenanthren-1-yl]propionic acid Formula: C18H20O4 MolecularWeight: 300.349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1CCC(=O)O)C=CC3=C2C=CC(=C3)O)O

Isomeric SMILES

C[C@@]1(CCC2=C([C@@H]1CCC(=O)O)C=CC3=C2C=CC(=C3)O)O

InChI

InChI=1S/C18H20O4/c1-18(22)9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21/h2-5,10,16,19,22H,6-9H2,1H3,(H,20,21)/t16-,18-/m0/s1