4-methyl-1,4-bis(2H-pyrano[2,3-f]quinazolin-2-ylmethyl)cyclohex-2-ene-1-sulfonic acid

Systemtic Name: 4-methyl-1,4-bis(2H-pyrano[2,3-f]quinazolin-2-ylmethyl)cyclohex-2-ene-1-sulfonic acid Openeye Name: 4-methyl-1,4-bis(2H-pyrano[2,3-f]quinazolin-2-ylmethyl)cyclohex-2-ene-1-sulfonic acid CAS Name: 4-methyl-1,4-bis(2H-pyrano[2,3-f]quinazolin-2-ylmethyl)-1-cyclohex-2-enesulfonic acid IUPAC Name: 4-methyl-1,4-bis(2H-pyrano[2,3-f]quinazolin-2-ylmethyl)cyclohex-2-ene-1-sulfonic acid Traditional Name: 4-methyl-1,4-bis(2H-pyrano[2,3-f]quinazolin-2-ylmethyl)cyclohex-2-ene-1-sulfonic acid Formula: C31H28N4O5S MolecularWeight: 568.64282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C=C1)(CC2C=CC3=C(O2)C4=CN=CN=C4C=C3)S(=O)(=O)O)CC5C=CC6=C(O5)C7=CN=CN=C7C=C6

Isomeric SMILES

CC1(CCC(C=C1)(CC2C=CC3=C(O2)C4=CN=CN=C4C=C3)S(=O)(=O)O)CC5C=CC6=C(O5)C7=CN=CN=C7C=C6

InChI

InChI=1S/C31H28N4O5S/c1-30(14-22-6-2-20-4-8-26-24(28(20)39-22)16-32-18-34-26)10-12-31(13-11-30,41(36,37)38)15-23-7-3-21-5-9-27-25(29(21)40-23)17-33-19-35-27/h2-10,12,16-19,22-23H,11,13-15H2,1H3,(H,36,37,38)