1-(carboxymethyl)-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Openeye Name: 1-(carboxymethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid CAS Name: 1-(carboxymethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid IUPAC Name: 1-(carboxymethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Traditional Name: 1-(carboxymethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC(=O)O)CCC3=C2C=CC(=C3)O)C(=O)O

Isomeric SMILES

CC1(CCC2C(C1CC(=O)O)CCC3=C2C=CC(=C3)O)C(=O)O

InChI

InChI=1S/C18H22O5/c1-18(17(22)23)7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3,(H,20,21)(H,22,23)