1,4a-dimethyl-7-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; 4-oxidanylbenzoic acid

Systemtic Name: 1,4a-dimethyl-7-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; 4-oxidanylbenzoic acid Openeye Name: 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; 4-hydroxybenzoic acid CAS Name: 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; 4-hydroxybenzoic acid IUPAC Name: 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; 4-hydroxybenzoic acid Traditional Name: 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; 4-hydroxybenzoic acid Formula: C24H28O6 MolecularWeight: 412.47552

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=C2C=CC(=C3)O)(C)C(=O)O.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

CC12CCCC(C1CCC3=C2C=CC(=C3)O)(C)C(=O)O.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C17H22O3.C7H6O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16;8-6-3-1-5(2-4-6)7(9)10/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20);1-4,8H,(H,9,10)