tert-butyl 6-[6-methoxy-9-(4-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]hex-5-ynoate

Systemtic Name: tert-butyl 6-[6-methoxy-9-(4-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]hex-5-ynoate Openeye Name: tert-butyl 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)xanthen-3-yl]hex-5-ynoate CAS Name: 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)-3-xanthenyl]-5-hexynoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)xanthen-3-yl]hex-5-ynoate Traditional Name: 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)xanthen-3-yl]hex-5-ynoic acid tert-butyl ester Formula: C31H32O6 MolecularWeight: 500.58218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCC#CC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC)(C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)CCCC#CC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC)(C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C31H32O6/c1-30(2,3)37-29(32)10-8-6-7-9-21-11-17-25-27(19-21)36-28-20-24(35-5)16-18-26(28)31(25,33)22-12-14-23(34-4)15-13-22/h11-20,33H,6,8,10H2,1-5H3