4-[(2E)-2-[(2E)-2-[[1-(4-sulfobutyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-2-[(2E)-2-[[1-(4-sulfobutyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-2-[(2E)-2-[[1-(4-sulfobutyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-2-[(2E)-2-[[1-(4-sulfobutyl)-2-benzo[e][1,3]benzoxazol-1-iumyl]methylidene]butylidene]-3-benzo[f][1,3]benzoxazolyl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-2-[(2E)-2-[[1-(4-sulfobutyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-2-[(E)-2-ethyl-3-[1-(4-sulfobutyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]prop-2-enylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonic acid Formula: C35H37N2O8S2+ MolecularWeight: 677.80688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCCS(=O)(=O)O)C=C4N(C5=CC6=CC=CC=C6C=C5O4)CCCCS(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCCS(=O)(=O)O)/C=C/4\N(C5=CC6=CC=CC=C6C=C5O4)CCCCS(=O)(=O)O

InChI

InChI=1S/C35H36N2O8S2/c1-2-25(21-33-36(17-7-9-19-46(38,39)40)30-23-27-12-3-4-13-28(27)24-32(30)45-33)22-34-37(18-8-10-20-47(41,42)43)35-29-14-6-5-11-26(29)15-16-31(35)44-34/h3-6,11-16,21-24H,2,7-10,17-20H2,1H3,(H-,38,39,40,41,42,43)/p+1