2-[2-[(E)-2-[(Z)-[5-chloranyl-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethylsulfonyloxidanium

Systemtic Name: 2-[2-[(E)-2-[(Z)-[5-chloranyl-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethylsulfonyloxidanium Openeye Name: 2-[2-[(E)-2-[(Z)-[5-chloro-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethylsulfonyloxonium CAS Name: 2-[2-[(E)-2-[(Z)-[5-chloro-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethylsulfonyloxonium IUPAC Name: 2-[2-[(E)-2-[(Z)-[5-chloro-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethylsulfonyloxidanium Traditional Name: 2-[2-[(E)-2-[(Z)-[5-chloro-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]ethylsulfonyloxonium Formula: C30H31ClN2O8S2+2 MolecularWeight: 647.15874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCS(=O)(=O)[OH2+])C=C4N(C5=C(O4)C=CC(=C5)Cl)CCCOS(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCS(=O)(=O)[OH2+])/C=C\4/N(C5=C(O4)C=CC(=C5)Cl)CCCOS(=O)O

InChI

InChI=1S/C30H29ClN2O8S2/c1-2-21(17-29-32(13-6-15-39-42(34)35)26-20-24(31)10-12-28(26)41-29)18-30-33(14-16-43(36,37)38)25-19-23(9-11-27(25)40-30)22-7-4-3-5-8-22/h3-5,7-12,17-20H,2,6,13-16H2,1H3,(H-,34,35,36,37,38)/p+2