(9-methoxy-3,3,12-trimethyl-7-oxidanylidene-pyrano[2,3-c]acridin-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (9-methoxy-3,3,12-trimethyl-7-oxidanylidene-pyrano[2,3-c]acridin-6-yl) 4-methylbenzenesulfonate Openeye Name: (9-methoxy-3,3,12-trimethyl-7-oxo-pyrano[2,3-c]acridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-methoxy-3,3,12-trimethyl-7-oxo-6-pyrano[2,3-c]acridinyl) ester IUPAC Name: (9-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-9-methoxy-3,3,12-trimethyl-pyran[2,3-c]acridin-6-yl) ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C4C=CC(OC4=C2)(C)C)N(C5=C(C3=O)C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C4C=CC(OC4=C2)(C)C)N(C5=C(C3=O)C=C(C=C5)OC)C

InChI

InChI=1S/C27H25NO6S/c1-16-6-9-18(10-7-16)35(30,31)34-23-15-22-19(12-13-27(2,3)33-22)25-24(23)26(29)20-14-17(32-5)8-11-21(20)28(25)4/h6-15H,1-5H3