(6R,7S)-4-[2-[(6S,7R)-4,6,7-tris(oxidanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol

Systemtic Name: (6R,7S)-4-[2-[(6S,7R)-4,6,7-tris(oxidanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol Openeye Name: (2R,3S)-8-[2-[(2S,3R)-2,3,8-trihydroxytetralin-5-yl]ethynyl]tetralin-2,3,5-triol CAS Name: (6R,7S)-4-[2-[(6S,7R)-4,6,7-trihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol IUPAC Name: (6R,7S)-4-[2-[(6S,7R)-4,6,7-trihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol Traditional Name: (2R,3S)-8-[2-[(2S,3R)-2,3,8-trihydroxytetralin-5-yl]ethynyl]tetralin-2,3,5-triol Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC2=C(C=CC(=C21)C#CC3=C4CC(C(CC4=C(C=C3)O)O)O)O)O)O

Isomeric SMILES

C1[C@H]([C@H](CC2=C(C=CC(=C21)C#CC3=C4C[C@H]([C@H](CC4=C(C=C3)O)O)O)O)O)O

InChI

InChI=1S/C22H22O6/c23-17-5-3-11(13-7-19(25)21(27)9-15(13)17)1-2-12-4-6-18(24)16-10-22(28)20(26)8-14(12)16/h3-6,19-28H,7-10H2/t19-,20-,21+,22+/m1/s1