3-[2-[(E)-[7-[(Z)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]methyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-[7-[(Z)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]methyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-[7-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]methyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-[7-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]methyl]-1-benzo[e][1,3]benzoxazol-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-[7-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]methyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-[7-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]methyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate Formula: C35H33ClN2O4S2 MolecularWeight: 645.23052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)SC1=CC3=CC4=CC(=CC5=[N+](C6=C(O5)C=CC7=CC=CC=C76)CCCS(=O)(=O)[O-])CCC4CC3

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)Cl)S/C1=C\C3=CC4=C/C(=C/C5=[N+](C6=C(O5)C=CC7=CC=CC=C76)CCCS(=O)(=O)[O-])/CCC4CC3

InChI

InChI=1S/C35H33ClN2O4S2/c1-2-37-30-22-28(36)13-15-32(30)43-34(37)21-24-9-11-25-10-8-23(18-27(25)19-24)20-33-38(16-5-17-44(39,40)41)35-29-7-4-3-6-26(29)12-14-31(35)42-33/h3-4,6-7,12-15,18-22,25H,2,5,8-11,16-17H2,1H3