6,6-dimethyl-1-oxidanyl-3-(4-oxidanylpentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid

Systemtic Name: 6,6-dimethyl-1-oxidanyl-3-(4-oxidanylpentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid Openeye Name: 1-hydroxy-3-(4-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid CAS Name: 1-hydroxy-3-(4-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-9-carboxylic acid IUPAC Name: 1-hydroxy-3-(4-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid Traditional Name: 1-hydroxy-3-(4-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C(=O)O)C(=C1)O)O

Isomeric SMILES

CC(CCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C(=O)O)C(=C1)O)O

InChI

InChI=1S/C21H28O5/c1-12(22)5-4-6-13-9-17(23)19-15-11-14(20(24)25)7-8-16(15)21(2,3)26-18(19)10-13/h9-12,15-16,22-23H,4-8H2,1-3H3,(H,24,25)