(3E)-3-[[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]hydrazinylidene]-7-[[(6E)-6-[[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]hydrazinylidene]-7-[[(6E)-6-[[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-3-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]hydrazono]-7-[[(6E)-6-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-3-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]hydrazinylidene]-7-[[[[(6E)-6-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-3-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]hydrazinylidene]-7-[[(6E)-6-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-4-keto-7-[[(6E)-5-keto-6-[[4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]hydrazono]-7-sulfo-2-naphthyl]carbamoylamino]-3-[[4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C41H32N6O13S2 MolecularWeight: 880.85518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC=C(C=C6)C=CC(=O)OC)C(=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)N/N=C/2\C(=O)C3=C(C=C2S(=O)(=O)O)C=C(C=C3)NC(=O)NC4=CC5=C(C(=O)/C(=N\NC6=CC=C(C=C6)/C=C/C(=O)OC)/C(=C5)S(=O)(=O)O)C=C4

InChI

InChI=1S/C41H32N6O13S2/c1-59-35(48)17-7-23-3-9-27(10-4-23)44-46-37-33(61(53,54)55)21-25-19-29(13-15-31(25)39(37)50)42-41(52)43-30-14-16-32-26(20-30)22-34(62(56,57)58)38(40(32)51)47-45-28-11-5-24(6-12-28)8-18-36(49)60-2/h3-22,44-45H,1-2H3,(H2,42,43,52)(H,53,54,55)(H,56,57,58)/b17-7+,18-8+,46-37-,47-38-