6-[6-methoxy-9-(4-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]hex-5-ynoic acid

Systemtic Name: 6-[6-methoxy-9-(4-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]hex-5-ynoic acid Openeye Name: 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)xanthen-3-yl]hex-5-ynoic acid CAS Name: 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)-3-xanthenyl]-5-hexynoic acid IUPAC Name: 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)xanthen-3-yl]hex-5-ynoic acid Traditional Name: 6-[9-hydroxy-6-methoxy-9-(4-methoxyphenyl)xanthen-3-yl]hex-5-ynoic acid Formula: C27H24O6 MolecularWeight: 444.47586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C#CCCCC(=O)O)OC4=C2C=CC(=C4)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C#CCCCC(=O)O)OC4=C2C=CC(=C4)OC)O

InChI

InChI=1S/C27H24O6/c1-31-20-11-9-19(10-12-20)27(30)22-14-8-18(6-4-3-5-7-26(28)29)16-24(22)33-25-17-21(32-2)13-15-23(25)27/h8-17,30H,3,5,7H2,1-2H3,(H,28,29)