2-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid

Systemtic Name: 2-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid Openeye Name: 2-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid CAS Name: 2-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid IUPAC Name: 2-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid Traditional Name: 2-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid Formula: C25H29N2O7S+ MolecularWeight: 501.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)OC)CCS(=O)(=O)O)C=C3N(C4=C(O3)C=CC(=C4)OC)CC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)OC)CCS(=O)(=O)O)/C=C/3\N(C4=C(O3)C=CC(=C4)OC)CC

InChI

InChI=1S/C25H28N2O7S/c1-5-17(13-24-26(6-2)20-15-18(31-3)7-9-22(20)33-24)14-25-27(11-12-35(28,29)30)21-16-19(32-4)8-10-23(21)34-25/h7-10,13-16H,5-6,11-12H2,1-4H3/p+1