9-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-[3-[(1,3-benzoxazol-2-ylthio)methyl]-4-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-[3-[(1,3-benzoxazol-2-ylthio)methyl]-4-methoxy-phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CSC5=NC6=CC=CC=C6O5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CSC5=NC6=CC=CC=C6O5)C(=O)C1)C

InChI

InChI=1S/C32H33NO5S/c1-31(2)13-21(34)28-25(15-31)37-26-16-32(3,4)14-22(35)29(26)27(28)18-10-11-23(36-5)19(12-18)17-39-30-33-20-8-6-7-9-24(20)38-30/h6-12,27H,13-17H2,1-5H3