[5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid [5-methoxy-2-(6-methoxy-4a-spiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]yl)phenyl] ester IUPAC Name: [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] ester Formula: C31H37NO7S MolecularWeight: 567.69298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)OC2=C(C=CC(=C2)OC)C34CCCCC3C5(CCCCC5)C6=C(O4)C=C(C=C6)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)OC2=C(C=CC(=C2)OC)C34CCCCC3C5(CCCCC5)C6=C(O4)C=C(C=C6)OC

InChI

InChI=1S/C31H37NO7S/c1-20-29(21(2)38-32-20)40(33,34)39-27-19-23(36-4)12-14-25(27)31-17-9-6-10-28(31)30(15-7-5-8-16-30)24-13-11-22(35-3)18-26(24)37-31/h11-14,18-19,28H,5-10,15-17H2,1-4H3