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

Systemtic Name: [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] thiophene-2-sulfonate Openeye Name: [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic 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] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [5-methoxy-2-(6-methoxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)phenyl] ester Formula: C30H34O6S2 MolecularWeight: 554.71736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OS(=O)(=O)C6=CC=CS6

Isomeric SMILES

COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OS(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C30H34O6S2/c1-33-21-11-13-23-25(19-21)35-30(17-7-4-9-27(30)29(23)15-5-3-6-16-29)24-14-12-22(34-2)20-26(24)36-38(31,32)28-10-8-18-37-28/h8,10-14,18-20,27H,3-7,9,15-17H2,1-2H3