[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-[6-methoxy-9-(4-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]hex-5-ynoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-[6-methoxy-9-(4-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]hex-5-ynoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 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 (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 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 succinimido ester Formula: C31H27NO8 MolecularWeight: 541.54798

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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)ON4C(=O)CCC4=O)OC5=C2C=CC(=C5)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C#CCCCC(=O)ON4C(=O)CCC4=O)OC5=C2C=CC(=C5)OC)O

InChI

InChI=1S/C31H27NO8/c1-37-22-11-9-21(10-12-22)31(36)24-14-8-20(18-26(24)39-27-19-23(38-2)13-15-25(27)31)6-4-3-5-7-30(35)40-32-28(33)16-17-29(32)34/h8-15,18-19,36H,3,5,7,16-17H2,1-2H3